 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer12_STD_wB97XD_augccpVDZ.in
 Output=26_junionone_conformer12_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-80350.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     80352.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer12_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer12_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.485536000000     -1.394131000000      1.201364000000
  C                                                 1.966773000000     -0.392200000000      0.165915000000
  C                                                 0.868394000000      0.353659000000     -0.698378000000
  C                                                -0.497714000000      0.352190000000     -0.124912000000
  C                                                -1.585230000000     -0.118716000000     -0.740357000000
  C                                                -2.947927000000     -0.130962000000     -0.173989000000
  O                                                -3.869650000000     -0.592319000000     -0.821022000000
  C                                                 3.006329000000     -1.028151000000     -0.749724000000
  C                                                 2.432922000000      0.991915000000      0.695754000000
  C                                                 1.648186000000      1.678903000000     -0.442484000000
  C                                                -3.180010000000      0.431009000000      1.214107000000
  H                                                 3.509420000000      1.160900000000      0.735423000000
  H                                                 2.013908000000      1.213736000000      1.678261000000
  H                                                 0.832257000000      0.021669000000     -1.736686000000
  H                                                 1.043279000000      2.544670000000     -0.175495000000
  H                                                 2.275831000000      1.947927000000     -1.290478000000
  H                                                 2.329017000000     -1.760136000000      1.792254000000
  H                                                 1.010690000000     -2.255206000000      0.725171000000
  H                                                 0.763959000000     -0.954931000000      1.891159000000
  H                                                 2.586445000000     -1.890920000000     -1.272224000000
  H                                                 3.868238000000     -1.369574000000     -0.171198000000
  H                                                 3.366384000000     -0.323153000000     -1.501537000000
  H                                                -0.599262000000      0.771738000000      0.871956000000
  H                                                -1.515981000000     -0.539617000000     -1.738100000000
  H                                                -2.885796000000      1.481413000000      1.263267000000
  H                                                -2.589096000000     -0.110594000000      1.955779000000
  H                                                -4.235638000000      0.339532000000      1.456836000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519082   0.000000
     3  C    2.654177   1.584217   0.000000
     4  C    2.956675   2.590829   1.481593   0.000000
     5  C    3.850528   3.675983   2.499034   1.335371   0.000000
     6  C    4.810695   4.933362   3.882544   2.497877   1.475759
     7  O    5.780222   5.922662   4.833113   3.570241   2.334391
     8  C    2.500699   1.524305   2.546135   3.817597   4.680766
     9  C    2.616562   1.553640   2.190599   3.109882   4.409247
    10  C    3.488872   2.181998   1.558791   2.542815   3.711488
    11  C    5.009852   5.316555   4.478075   2.998983   2.581753
    12  H    3.292627   2.261906   3.111662   4.177477   5.456263
    13  H    2.703253   2.206455   2.774950   3.209663   4.536401
    14  H    3.326169   2.253509   1.090691   2.115628   2.618515
    15  H    4.195889   3.097516   2.259319   2.680333   3.784409
    16  H    4.243017   2.773588   2.207522   3.405506   4.413778
    17  H    1.092964   2.155794   3.578379   4.015950   4.942642
    18  H    1.092561   2.167407   2.975385   3.129926   3.667583
    19  H    1.090590   2.177130   2.903277   2.713840   3.625303
    20  H    2.752715   2.167579   2.884291   3.982450   4.563602
    21  H    2.749872   2.164365   3.499502   4.693416   5.623958
    22  H    3.462695   2.178090   2.709814   4.157215   5.013948
    23  H    3.024216   2.904786   2.189692   1.086314   2.089161
    24  H    4.287161   3.971974   2.750311   2.105840   1.085101
    25  H    5.232698   5.316205   4.383357   2.984145   2.875134
    26  H    4.338114   4.902944   4.383414   2.986189   2.876971
    27  H    5.983535   6.377445   5.540423   4.058838   3.473084
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216994   0.000000
     8  C    6.048932   6.890147   0.000000
     9  C    5.565145   6.673292   2.549288   0.000000
    10  C    4.946914   5.978984   3.044190   1.543810   0.000000
    11  C    1.515416   2.380032   6.652561   5.664655   5.254808
    12  H    6.647802   7.742543   2.692714   1.090402   2.262738
    13  H    5.464325   6.642628   3.450517   1.090916   2.201748
    14  H    4.093301   4.829426   2.608219   3.069246   2.255465
    15  H    4.805074   5.864663   4.116838   2.258590   1.089380
    16  H    5.732013   6.666346   3.111765   2.209922   1.088764
    17  H    5.862291   6.827626   2.730605   2.964269   4.157472
    18  H    4.581654   5.382715   2.768313   3.545053   4.152955
    19  H    4.326876   5.381240   3.465234   2.829247   3.628337
    20  H    5.910401   6.600842   1.092556   3.493887   3.783178
    21  H    6.927790   7.803929   1.092771   2.896268   3.780931
    22  H    6.455218   7.272946   1.091735   2.725590   2.842890
    23  H    2.724903   3.927119   4.343931   3.045269   2.757122
    24  H    2.159609   2.526572   4.654765   4.884984   4.075832
    25  H    2.160861   3.100418   6.713209   5.371261   4.848256
    26  H    2.159881   3.095562   6.282550   5.293756   5.187343
    27  H    2.130529   2.488158   7.693215   6.743481   6.326193
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.746136   0.000000
    13  H    5.273034   1.768698   0.000000
    14  H    4.997302   3.817902   3.805153   0.000000
    15  H    4.922878   2.970933   2.479903   2.974455   0.000000
    16  H    6.191945   2.499085   3.069373   2.448158   1.765920
    17  H    5.956908   3.323055   2.992692   4.227119   4.904744
    18  H    5.001677   4.232439   3.734754   3.358085   4.883756
    19  H    4.234870   3.653768   2.512133   3.757615   4.073854
    20  H    6.695162   3.767776   4.321117   2.636455   4.822721
    21  H    7.405334   2.711828   3.678659   3.688291   4.827185
    22  H    7.127325   2.688282   3.781843   2.568267   3.921685
    23  H    2.625533   4.129329   2.770225   3.068691   2.634081
    24  H    3.525143   5.853608   5.215926   2.414387   4.301671
    25  H    1.091937   6.424962   4.924527   4.995447   4.317196
    26  H    1.092058   6.348060   4.797761   5.035618   4.978645
    27  H    1.087031   7.821829   6.314276   5.998598   5.949294
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.822426   0.000000
    18  H    4.830088   1.766846   0.000000
    19  H    4.564554   1.762823   1.763837   0.000000
    20  H    3.851436   3.078051   2.570077   3.768889   0.000000
    21  H    3.846344   2.525249   3.123044   3.749906   1.768348
    22  H    2.528172   3.740335   3.773639   4.322285   1.766008
    23  H    3.784931   3.978964   3.431600   2.424568   4.672899
    24  H    4.556981   5.360697   3.923648   4.306058   4.344302
    25  H    5.777685   6.162933   5.425355   4.432915   6.909903
    26  H    6.200259   5.189948   4.367175   3.458332   6.354195
    27  H    7.248027   6.900421   5.898471   5.182687   7.678770
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.765405   0.000000
    23  H    5.062800   4.749590   0.000000
    24  H    5.668670   4.892883   3.061441   0.000000
    25  H    7.470127   7.070386   2.425902   3.869000   0.000000
    26  H    6.914205   6.889554   2.431588   3.870449   1.761275
    27  H    8.440636   8.184245   3.708385   4.286847   1.778605
                   26         27
    26  H    0.000000
    27  H    1.778386   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.99D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.485536   -1.394131    1.201364
      2          6           0        1.966773   -0.392200    0.165915
      3          6           0        0.868394    0.353659   -0.698378
      4          6           0       -0.497714    0.352190   -0.124912
      5          6           0       -1.585230   -0.118716   -0.740357
      6          6           0       -2.947927   -0.130962   -0.173989
      7          8           0       -3.869650   -0.592319   -0.821022
      8          6           0        3.006329   -1.028151   -0.749724
      9          6           0        2.432922    0.991915    0.695754
     10          6           0        1.648186    1.678903   -0.442484
     11          6           0       -3.180010    0.431009    1.214107
     12          1           0        3.509420    1.160900    0.735423
     13          1           0        2.013908    1.213736    1.678261
     14          1           0        0.832257    0.021669   -1.736686
     15          1           0        1.043279    2.544670   -0.175495
     16          1           0        2.275831    1.947927   -1.290478
     17          1           0        2.329017   -1.760136    1.792254
     18          1           0        1.010690   -2.255206    0.725171
     19          1           0        0.763959   -0.954931    1.891159
     20          1           0        2.586445   -1.890920   -1.272224
     21          1           0        3.868238   -1.369574   -0.171198
     22          1           0        3.366384   -0.323153   -1.501537
     23          1           0       -0.599262    0.771738    0.871956
     24          1           0       -1.515981   -0.539617   -1.738100
     25          1           0       -2.885796    1.481413    1.263267
     26          1           0       -2.589096   -0.110594    1.955779
     27          1           0       -4.235638    0.339532    1.456836
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1948938           0.5074064           0.4967916
 Leave Link  202 at Thu Aug 12 22:12:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       610.1943807680 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0194363974 Hartrees.
 Nuclear repulsion after empirical dispersion term =      610.1749443707 Hartrees.
 Leave Link  301 at Thu Aug 12 22:12:19 2021, MaxMem=  5368709120 cpu:              10.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.45D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 22:12:19 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:12:19 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer12_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.794443315080    
 DIIS: error= 1.72D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.794443315080     IErMin= 1 ErrMin= 1.72D-03
 ErrMax= 1.72D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-03 BMatP= 5.74D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.72D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.343 Goal=   None    Shift=    0.000
 GapD=    0.343 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.47D-02 MaxDP=4.15D+00              OVMax= 1.44D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.00D-02    CP:  1.44D+00
 E= -465.799464489524     Delta-E=       -0.005021174444 Rises=F Damp=F
 DIIS: error= 2.64D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.799464489524     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 2.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-04 BMatP= 5.74D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.64D-03
 Coeff-Com: -0.472D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.471D-01 0.105D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=3.23D-03 MaxDP=5.90D-01 DE=-5.02D-03 OVMax= 5.39D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.46D-04    CP:  1.50D+00  1.12D+00
 E= -465.799576601643     Delta-E=       -0.000112112119 Rises=F Damp=F
 DIIS: error= 2.79D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.799576601643     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 2.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-04 BMatP= 1.11D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.79D-03
 Coeff-Com: -0.412D-01 0.543D+00 0.499D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.411D-01 0.541D+00 0.500D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.77D-04 MaxDP=2.68D-02 DE=-1.12D-04 OVMax= 2.83D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.18D-05    CP:  1.51D+00  1.13D+00  1.06D+00
 E= -465.799656046621     Delta-E=       -0.000079444977 Rises=F Damp=F
 DIIS: error= 7.88D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.799656046621     IErMin= 4 ErrMin= 7.88D-05
 ErrMax= 7.88D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-06 BMatP= 1.07D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.364D-02-0.168D-01 0.169D+00 0.852D+00
 Coeff:     -0.364D-02-0.168D-01 0.169D+00 0.852D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.08D-04 MaxDP=1.37D-02 DE=-7.94D-05 OVMax= 7.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.21D-05    CP:  1.51D+00  1.13D+00  1.14D+00  1.38D+00
 E= -465.799662402848     Delta-E=       -0.000006356227 Rises=F Damp=F
 DIIS: error= 3.10D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.799662402848     IErMin= 5 ErrMin= 3.10D-05
 ErrMax= 3.10D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-07 BMatP= 6.05D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.248D-02-0.628D-01 0.200D-01 0.347D+00 0.693D+00
 Coeff:      0.248D-02-0.628D-01 0.200D-01 0.347D+00 0.693D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.83D-05 MaxDP=1.88D-03 DE=-6.36D-06 OVMax= 3.07D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.96D-05    CP:  1.51D+00  1.13D+00  1.16D+00  1.48D+00  1.12D+00
 E= -465.799663259826     Delta-E=       -0.000000856978 Rises=F Damp=F
 DIIS: error= 5.41D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.799663259826     IErMin= 6 ErrMin= 5.41D-06
 ErrMax= 5.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.93D-08 BMatP= 7.19D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.108D-02-0.159D-01-0.666D-02 0.245D-01 0.190D+00 0.807D+00
 Coeff:      0.108D-02-0.159D-01-0.666D-02 0.245D-01 0.190D+00 0.807D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=9.72D-06 MaxDP=1.16D-03 DE=-8.57D-07 OVMax= 1.54D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.39D-06    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.17D+00
                    CP:  1.09D+00
 E= -465.799663326106     Delta-E=       -0.000000066280 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.799663326106     IErMin= 7 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-09 BMatP= 3.93D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.106D-03 0.118D-02-0.388D-02-0.311D-01-0.128D-01 0.317D+00
 Coeff-Com:  0.730D+00
 Coeff:      0.106D-03 0.118D-02-0.388D-02-0.311D-01-0.128D-01 0.317D+00
 Coeff:      0.730D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.67D-06 MaxDP=5.65D-04 DE=-6.63D-08 OVMax= 4.52D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.54D-06    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.19D+00
                    CP:  1.13D+00  1.07D+00
 E= -465.799663338816     Delta-E=       -0.000000012710 Rises=F Damp=F
 DIIS: error= 1.00D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.799663338816     IErMin= 8 ErrMin= 1.00D-06
 ErrMax= 1.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-10 BMatP= 8.81D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-03 0.231D-02 0.219D-04-0.125D-01-0.313D-01-0.171D-01
 Coeff-Com:  0.190D+00 0.869D+00
 Coeff:     -0.105D-03 0.231D-02 0.219D-04-0.125D-01-0.313D-01-0.171D-01
 Coeff:      0.190D+00 0.869D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.13D-06 MaxDP=1.81D-04 DE=-1.27D-08 OVMax= 3.21D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.03D-07    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.19D+00
                    CP:  1.14D+00  1.11D+00  1.08D+00
 E= -465.799663340270     Delta-E=       -0.000000001453 Rises=F Damp=F
 DIIS: error= 3.07D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.799663340270     IErMin= 9 ErrMin= 3.07D-07
 ErrMax= 3.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-10 BMatP= 6.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.518D-04 0.860D-03 0.404D-03-0.254D-02-0.117D-01-0.347D-01
 Coeff-Com:  0.107D-02 0.372D+00 0.675D+00
 Coeff:     -0.518D-04 0.860D-03 0.404D-03-0.254D-02-0.117D-01-0.347D-01
 Coeff:      0.107D-02 0.372D+00 0.675D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.29D-07 MaxDP=2.42D-05 DE=-1.45D-09 OVMax= 5.42D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.74D-07    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.18D+00
                    CP:  1.14D+00  1.11D+00  1.15D+00  1.04D+00
 E= -465.799663340402     Delta-E=       -0.000000000132 Rises=F Damp=F
 DIIS: error= 8.82D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.799663340402     IErMin=10 ErrMin= 8.82D-08
 ErrMax= 8.82D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.70D-12 BMatP= 1.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.667D-05-0.219D-03 0.132D-03 0.161D-02 0.326D-02-0.330D-02
 Coeff-Com: -0.385D-01-0.465D-01 0.929D-01 0.991D+00
 Coeff:      0.667D-05-0.219D-03 0.132D-03 0.161D-02 0.326D-02-0.330D-02
 Coeff:     -0.385D-01-0.465D-01 0.929D-01 0.991D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.58D-07 MaxDP=3.54D-05 DE=-1.32D-10 OVMax= 4.02D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.92D-08    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.18D+00
                    CP:  1.14D+00  1.11D+00  1.16D+00  1.10D+00  1.33D+00
 E= -465.799663340450     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 2.17D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.799663340450     IErMin=11 ErrMin= 2.17D-08
 ErrMax= 2.17D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-13 BMatP= 7.70D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.549D-05-0.119D-03 0.673D-05 0.521D-03 0.164D-02 0.203D-02
 Coeff-Com: -0.110D-01-0.318D-01-0.390D-01 0.232D+00 0.845D+00
 Coeff:      0.549D-05-0.119D-03 0.673D-05 0.521D-03 0.164D-02 0.203D-02
 Coeff:     -0.110D-01-0.318D-01-0.390D-01 0.232D+00 0.845D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.27D-08 MaxDP=5.52D-06 DE=-4.77D-11 OVMax= 7.64D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.91D-08    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.18D+00
                    CP:  1.14D+00  1.10D+00  1.16D+00  1.10D+00  1.42D+00
                    CP:  1.13D+00
 E= -465.799663340425     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 6.78D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.799663340450     IErMin=12 ErrMin= 6.78D-09
 ErrMax= 6.78D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.19D-14 BMatP= 9.46D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-06 0.361D-05-0.859D-05-0.923D-04-0.396D-04 0.860D-03
 Coeff-Com:  0.144D-02 0.119D-02-0.212D-01-0.631D-01 0.157D+00 0.923D+00
 Coeff:      0.211D-06 0.361D-05-0.859D-05-0.923D-04-0.396D-04 0.860D-03
 Coeff:      0.144D-02 0.119D-02-0.212D-01-0.631D-01 0.157D+00 0.923D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.23D-08 MaxDP=1.10D-06 DE= 2.50D-11 OVMax= 2.63D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.72D-09    CP:  1.51D+00  1.13D+00  1.15D+00  1.54D+00  1.18D+00
                    CP:  1.14D+00  1.10D+00  1.16D+00  1.10D+00  1.45D+00
                    CP:  1.20D+00  1.14D+00
 E= -465.799663340448     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 2.66D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -465.799663340450     IErMin=13 ErrMin= 2.66D-09
 ErrMax= 2.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-14 BMatP= 9.19D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.481D-06 0.129D-04-0.171D-05-0.841D-04-0.170D-03 0.701D-04
 Coeff-Com:  0.142D-02 0.400D-02-0.333D-02-0.423D-01-0.394D-01 0.292D+00
 Coeff-Com:  0.788D+00
 Coeff:     -0.481D-06 0.129D-04-0.171D-05-0.841D-04-0.170D-03 0.701D-04
 Coeff:      0.142D-02 0.400D-02-0.333D-02-0.423D-01-0.394D-01 0.292D+00
 Coeff:      0.788D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.71D-09 MaxDP=4.14D-07 DE=-2.32D-11 OVMax= 5.79D-08

 SCF Done:  E(RwB97XD) =  -465.799663340     A.U. after   13 cycles
            NFock= 13  Conv=0.37D-08     -V/T= 2.0063
 KE= 4.628784579459D+02 PE=-2.301569434587D+03 EE= 7.627163689301D+02
 Leave Link  502 at Thu Aug 12 22:17:24 2021, MaxMem=  5368709120 cpu:            2426.9 elap:             304.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.95675478D+02

 Leave Link  801 at Thu Aug 12 22:17:25 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 5.44D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.80D-01 6.92D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.98D-02 8.15D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 5.14D-03 2.34D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 4.16D-04 4.76D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.67D-05 6.66D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 7.27D-07 1.24D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 2.45D-08 2.49D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 6.65D-10 5.07D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.46D-11 7.08D-07.
      9 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 2.73D-13 7.12D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.171724D+03
      2  0.741134D+01  0.110800D+03
      3  0.556886D+01  0.423266D+01  0.113418D+03
 Isotropic polarizability for W=    0.085645      131.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.690571D+02 -0.462280D+02 -0.254906D+02
      2   0.598708D+02  0.408525D+02 -0.356202D+01
      3   0.918629D+01  0.537546D+01  0.290526D+02
      4  -0.439590D+02  0.998935D+02 -0.405489D+02
      5  -0.227105D+02 -0.461322D+02  0.248264D+02
      6  -0.237451D+02  0.136458D+02 -0.998371D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.949342D+01  0.901611D+01 -0.311638D+01
      2   0.133990D+02 -0.117148D+02  0.166830D+02
      3   0.307354D+02 -0.445847D+02  0.199589D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.558334D+01  0.172078D+02  0.153592D+02
      2  -0.278004D+01 -0.168037D+02  0.156401D+02
      3   0.226892D+01 -0.400227D+02  0.223871D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.272617D+01 -0.380031D+01 -0.470124D+01
      2  -0.380031D+01  0.103179D+01  0.392761D+01
      3  -0.470124D+01  0.392761D+01 -0.500736D+01
 OR G Eigenvalues:    -7.7783    -2.0126     8.5415  Iso=     0.4165
 Eigenvectors:
   (1)   0.309031  -0.272859   0.911070
   (2)   0.635083   0.772281   0.015875
   (3)   0.707934  -0.573698  -0.411947
 w=    0.085645 a.u., Optical Rotation Beta=      0.4165 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      129.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.10D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.29D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.36D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.24D-02 4.01D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 3.00D-03 1.27D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 3.34D-05 1.01D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 6.20D-07 9.47D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.27D-08 1.18D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.24D-10 1.35D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 9.97D-13 1.04D-07.
     12 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.11D-14 7.07D-09.
      2 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.55D-15 3.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.87D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 5.87D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.98D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171724D+03  0.741134D+01  0.556886D+01
      2   0.741134D+01  0.110800D+03  0.423266D+01
      3   0.556886D+01  0.423266D+01  0.113418D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.949342D+01  0.901611D+01 -0.311638D+01
      2   0.133990D+02 -0.117148D+02  0.166830D+02
      3   0.307354D+02 -0.445847D+02  0.199589D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.690571D+02 -0.462280D+02 -0.254906D+02
      2   0.598708D+02  0.408525D+02 -0.356202D+01
      3   0.918629D+01  0.537546D+01  0.290526D+02
      4  -0.439590D+02  0.998935D+02 -0.405489D+02
      5  -0.227105D+02 -0.461322D+02  0.248264D+02
      6  -0.237451D+02  0.136458D+02 -0.998371D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.232054D+01  0.146708D+01 -0.429477D+01  0.633217D+00  0.956869D+00
      2   0.146708D+01  0.845568D+00  0.383607D+01  0.956869D+00  0.310847D+01
      3  -0.429477D+01  0.383607D+01 -0.600569D+00  0.384348D+01  0.143598D+01
                 6             7             8             9            10 
      1   0.384348D+01 -0.457302D+01  0.388929D+01 -0.377416D+00  0.192922D+02
      2   0.143598D+01  0.388929D+01  0.209882D+01 -0.468344D+00 -0.219926D+01
      3  -0.118351D+01 -0.377416D+00 -0.468344D+00 -0.166608D+01  0.545197D+01
                11            12            13            14            15 
      1  -0.219926D+01  0.545197D+01 -0.584303D+01  0.117919D+01 -0.455620D+01
      2   0.155239D-01 -0.358553D+01  0.117919D+01 -0.465075D+01 -0.245421D+01
      3  -0.358553D+01  0.247617D+00 -0.455620D+01 -0.245421D+01  0.202536D+00
                16            17            18            19            20 
      1   0.168691D+02 -0.436374D+01  0.186145D+01 -0.403049D+02 -0.209620D+01
      2  -0.436374D+01 -0.233239D+01  0.343731D+00 -0.209620D+01 -0.420774D+01
      3   0.186145D+01  0.343731D+00  0.964644D+00 -0.467340D+01  0.113076D+01
                21            22            23            24            25 
      1  -0.467340D+01  0.367144D+01 -0.831949D+01  0.281254D+01 -0.782575D+01
      2   0.113076D+01 -0.831949D+01 -0.206602D+01 -0.674015D+00  0.235307D+01
      3  -0.649515D+00  0.281254D+01 -0.674015D+00  0.295120D+01 -0.868553D+00
                26            27            28            29            30 
      1   0.235307D+01 -0.868553D+00  0.604208D+02  0.626863D+01  0.562086D+01
      2  -0.924054D+00  0.283329D+01  0.626863D+01  0.363056D+01 -0.151293D+00
      3   0.283329D+01  0.366528D+01  0.562086D+01 -0.151293D+00  0.217739D+01
                31            32            33            34            35 
      1   0.126960D+02  0.760536D+01 -0.691208D+00  0.103380D+02 -0.813158D-01
      2   0.760536D+01  0.406691D+01  0.182850D-01 -0.813158D-01  0.817480D+00
      3  -0.691208D+00  0.182850D-01 -0.167673D+01  0.423505D+01 -0.177477D+01
                36            37            38            39            40 
      1   0.423505D+01 -0.588545D+02 -0.824080D+01 -0.669208D+01 -0.132520D+02
      2  -0.177477D+01 -0.824080D+01 -0.288724D+01  0.569833D-01 -0.572774D+01
      3  -0.191986D+01 -0.669208D+01  0.569833D-01 -0.821809D+00  0.155627D-01
                41            42            43            44            45 
      1  -0.572774D+01  0.155627D-01 -0.884275D+01  0.231293D-01 -0.342429D+01
      2  -0.313573D+01 -0.336059D+00  0.231293D-01 -0.936361D+00  0.255496D+01
      3  -0.336059D+00  0.290773D+01 -0.342429D+01  0.255496D+01  0.244939D+01
                46            47            48            49            50 
      1   0.414413D+02  0.810385D+01  0.644076D+01  0.992937D+01  0.214455D+01
      2   0.810385D+01  0.737279D+00  0.165525D+01  0.214455D+01  0.915434D+00
      3   0.644076D+01  0.165525D+01  0.698018D+00  0.244035D+01  0.225531D+00
                51            52            53            54            55 
      1   0.244035D+01  0.532917D+01  0.222749D+01  0.250883D+01 -0.350851D+02
      2   0.225531D+00  0.222749D+01  0.350829D+00 -0.112566D+01 -0.632264D+01
      3  -0.139552D+01  0.250883D+01 -0.112566D+01 -0.263478D+01 -0.598656D+01
                56            57            58            59            60 
      1  -0.632264D+01 -0.598656D+01 -0.135174D+02 -0.657465D+01 -0.163506D+01
      2  -0.215799D+01 -0.123332D+01 -0.657465D+01 -0.400302D+01 -0.217229D+01
      3  -0.123332D+01 -0.254650D+01 -0.163506D+01 -0.217229D+01 -0.608432D+00
                61            62            63            64            65 
      1  -0.195296D+02 -0.333406D+01 -0.614402D+01 -0.652435D+01  0.139411D+01
      2  -0.333406D+01 -0.138815D+01 -0.149957D+01  0.139411D+01  0.688768D+00
      3  -0.614402D+01 -0.149957D+01 -0.416264D+01 -0.329264D+01  0.404333D+01
                66            67            68            69            70 
      1  -0.329264D+01  0.126149D+01 -0.362049D+00  0.404193D+01 -0.746220D+01
      2   0.404333D+01 -0.362049D+00  0.264330D+01  0.327184D+01  0.405042D+01
      3   0.886496D-01  0.404193D+01  0.327184D+01 -0.126265D+01 -0.124742D+01
                71            72            73            74            75 
      1   0.405042D+01 -0.124742D+01 -0.640160D+01 -0.194545D+01 -0.154692D+01
      2   0.303126D+01 -0.490470D+00 -0.194545D+01  0.176724D+01 -0.455460D+00
      3  -0.490470D+00  0.146972D+01 -0.154692D+01 -0.455460D+00  0.286308D+01
                76            77            78            79            80 
      1  -0.192123D+01  0.237711D+01 -0.816619D+00  0.374169D+00 -0.207734D+00
      2   0.237711D+01  0.587616D+01  0.253493D+01 -0.207734D+00  0.221436D+01
      3  -0.816619D+00  0.253493D+01 -0.176890D+01  0.262931D+01 -0.247031D+01
                81            82            83            84            85 
      1   0.262931D+01  0.615646D+01  0.243123D+01  0.964834D+00  0.589700D+01
      2  -0.247031D+01  0.243123D+01  0.472119D+01  0.265262D+01  0.654097D+01
      3  -0.259755D+01  0.964834D+00  0.265262D+01 -0.334488D+01  0.188116D+01
                86            87            88            89            90 
      1   0.654097D+01  0.188116D+01  0.721777D+01  0.487232D+01 -0.355664D+01
      2  -0.127195D+01  0.457226D+00  0.487232D+01  0.385214D+00 -0.528374D-01
      3   0.457226D+00  0.271668D+00 -0.355664D+01 -0.528374D-01  0.276685D+00
                91            92            93            94            95 
      1   0.894832D+01  0.100781D+01 -0.291253D+01  0.223299D+01 -0.146038D+01
      2   0.100781D+01 -0.230582D+01 -0.964789D-01 -0.146038D+01 -0.399045D+01
      3  -0.291253D+01 -0.964789D-01 -0.283068D+01 -0.587713D+00 -0.125717D+01
                96            97            98            99           100 
      1  -0.587713D+00 -0.651119D+00 -0.392434D+00 -0.327012D+01  0.111393D+02
      2  -0.125717D+01 -0.392434D+00 -0.622085D+00  0.221339D+01  0.262289D+01
      3   0.243440D+01 -0.327012D+01  0.221339D+01  0.119311D+01  0.239646D+01
               101           102           103           104           105 
      1   0.262289D+01  0.239646D+01  0.119149D+01  0.149304D+01  0.292844D+00
      2   0.202335D+01  0.626255D+00  0.149304D+01  0.655397D+00  0.227461D+00
      3   0.626255D+00  0.145937D+01  0.292844D+00  0.227461D+00  0.351440D+00
               106           107           108           109           110 
      1   0.537933D+00  0.206619D+00  0.106415D+01 -0.215203D+00  0.529956D+00
      2   0.206619D+00 -0.112830D+00  0.626544D+00  0.529956D+00 -0.973125D+00
      3   0.106415D+01  0.626544D+00  0.100690D+01  0.972263D+00 -0.427222D+00
               111           112           113           114           115 
      1   0.972263D+00  0.272512D+00 -0.142282D+00  0.647202D-01  0.106595D+01
      2  -0.427222D+00 -0.142282D+00  0.719620D+00  0.974397D+00  0.382758D-01
      3  -0.213779D+01  0.647202D-01  0.974397D+00  0.140893D+01 -0.201538D+00
               116           117           118           119           120 
      1   0.382758D-01 -0.201538D+00 -0.291279D+00 -0.415357D+00 -0.643023D+00
      2   0.193948D+01  0.213382D+01 -0.415357D+00  0.288614D+00 -0.125762D+00
      3   0.213382D+01  0.743612D+01 -0.643023D+00 -0.125762D+00 -0.730342D-01
               121           122           123           124           125 
      1  -0.196347D+01  0.365599D+00 -0.301530D-01 -0.120112D+01  0.614367D-01
      2   0.365599D+00 -0.761768D+00 -0.117261D+01  0.614367D-01 -0.128061D+01
      3  -0.301530D-01 -0.117261D+01 -0.171302D+01  0.424761D+00 -0.116531D+01
               126           127           128           129           130 
      1   0.424761D+00 -0.198707D+01  0.168471D+01 -0.838354D-01  0.331606D+00
      2  -0.116531D+01  0.168471D+01 -0.429392D+01 -0.246259D+00 -0.195094D+01
      3  -0.683847D+01 -0.838354D-01 -0.246259D+00 -0.293886D+00 -0.289029D+00
               131           132           133           134           135 
      1  -0.195094D+01 -0.289029D+00  0.207303D+00 -0.607365D+00  0.219831D+00
      2   0.811656D+01  0.399942D-01 -0.607365D+00  0.153641D+01  0.112765D+01
      3   0.399942D-01  0.894652D+00  0.219831D+00  0.112765D+01  0.277493D+00
               136           137           138           139           140 
      1   0.301594D+01  0.156808D+01 -0.197209D+01 -0.234815D+00  0.833590D+00
      2   0.156808D+01  0.156473D+01 -0.145568D+01  0.833590D+00  0.212039D+01
      3  -0.197209D+01 -0.145568D+01  0.252472D+01 -0.102974D+01 -0.147433D+01
               141           142           143           144           145 
      1  -0.102974D+01 -0.444882D+01 -0.245344D+01  0.285982D+01  0.532756D+01
      2  -0.147433D+01 -0.245344D+01 -0.283745D+01  0.242545D+01 -0.240195D+01
      3   0.124412D+01  0.285982D+01  0.242545D+01 -0.453172D+01  0.325194D+01
               146           147           148           149           150 
      1  -0.240195D+01  0.325194D+01 -0.132572D+01  0.151411D+01 -0.131445D+01
      2   0.248793D+01 -0.217307D+01  0.151411D+01 -0.235299D+01  0.141644D+01
      3  -0.217307D+01  0.330944D+01 -0.131445D+01  0.141644D+01 -0.124642D+01
               151           152           153           154           155 
      1   0.227917D+01 -0.166204D+01  0.235355D+01 -0.128547D+01 -0.144314D+01
      2  -0.166204D+01  0.140241D+01 -0.185265D+01 -0.144314D+01 -0.245387D+01
      3   0.235355D+01 -0.185265D+01  0.371777D+01  0.112652D+00 -0.415622D+00
               156           157           158           159           160 
      1   0.112652D+00 -0.124487D+01 -0.142376D+01 -0.426050D+00 -0.480907D+00
      2  -0.415622D+00 -0.142376D+01 -0.665662D+01 -0.417138D+00 -0.734583D+00
      3  -0.557875D+00 -0.426050D+00 -0.417138D+00 -0.118637D+01 -0.297845D+00
               161           162           163           164           165 
      1  -0.734583D+00 -0.297845D+00 -0.373899D+01  0.799593D+00  0.185908D+01
      2  -0.259803D+01 -0.798600D+00  0.799593D+00 -0.113912D+01 -0.281752D+00
      3  -0.798600D+00 -0.790908D+00  0.185908D+01 -0.281752D+00 -0.246578D+01
               166           167           168           169           170 
      1   0.198144D+01 -0.106986D+01 -0.657544D+00  0.161196D+01 -0.564048D+00
      2  -0.106986D+01  0.737219D+00  0.288606D+00 -0.564048D+00  0.666085D+00
      3  -0.657544D+00  0.288606D+00  0.165540D+01 -0.206201D+01  0.344749D+00
               171           172           173           174           175 
      1  -0.206201D+01 -0.295224D+00 -0.658301D+00 -0.666415D-01 -0.139335D+01
      2   0.344749D+00 -0.658301D+00 -0.197155D+01 -0.123997D+01  0.380965D+00
      3   0.389287D+01 -0.666415D-01 -0.123997D+01 -0.112792D+01 -0.671733D-01
               176           177           178           179           180 
      1   0.380965D+00 -0.671733D-01 -0.229202D+00 -0.218258D+00  0.293148D+00
      2  -0.594224D+01 -0.282722D+01 -0.218258D+00 -0.276556D+01 -0.205422D+01
      3  -0.282722D+01 -0.214934D+01  0.293148D+00 -0.205422D+01 -0.253966D+01
               181           182           183           184           185 
      1   0.852760D+01 -0.294953D+01  0.162996D+01 -0.226710D+01  0.208645D+01
      2  -0.294953D+01  0.178038D+01 -0.813748D+00  0.208645D+01 -0.188043D+01
      3   0.162996D+01 -0.813748D+00  0.145066D+01 -0.750249D+00  0.189312D+00
               186           187           188           189           190 
      1  -0.750249D+00  0.551626D+01 -0.191177D+01  0.176795D+01  0.274729D+01
      2   0.189312D+00 -0.191177D+01  0.115818D+01 -0.663988D+00  0.699022D+00
      3  -0.457607D+00  0.176795D+01 -0.663988D+00  0.147762D+01 -0.130967D+01
               191           192           193           194           195 
      1   0.699022D+00 -0.130967D+01  0.209036D+01  0.779277D+00 -0.178996D+01
      2   0.629684D+00 -0.946072D+00  0.779277D+00  0.202236D+01 -0.167458D+01
      3  -0.946072D+00  0.152987D+01 -0.178996D+01 -0.167458D+01  0.249645D+01
               196           197           198           199           200 
      1  -0.179768D+01 -0.980517D+00  0.239288D+01  0.113850D+01  0.756193D+00
      2  -0.980517D+00 -0.181630D+01  0.139378D+01  0.756193D+00  0.112295D+00
      3   0.239288D+01  0.139378D+01 -0.430850D+01  0.128156D+01 -0.111198D+00
               201           202           203           204           205 
      1   0.128156D+01  0.153390D+01 -0.950984D+00  0.249118D+00  0.178774D+01
      2  -0.111198D+00 -0.950984D+00  0.642498D+00  0.107435D+01  0.406777D+00
      3  -0.473632D+00  0.249118D+00  0.107435D+01  0.155553D+01 -0.359755D+00
               206           207           208           209           210 
      1   0.406777D+00 -0.359755D+00 -0.790758D+00 -0.515183D+00 -0.891830D+00
      2   0.137751D+01  0.151210D+01 -0.515183D+00 -0.766261D-01 -0.415553D-01
      3   0.151210D+01  0.434728D+01 -0.891830D+00 -0.415553D-01  0.512345D-01
               211           212           213           214           215 
      1  -0.960949D+00  0.165189D+00 -0.443841D+00 -0.165582D+01 -0.313831D+00
      2   0.165189D+00 -0.115554D+01 -0.141863D+01 -0.313831D+00 -0.165111D+01
      3  -0.443841D+00 -0.141863D+01 -0.249187D+01 -0.220416D+00 -0.214522D+01
               216           217           218           219           220 
      1  -0.220416D+00 -0.800687D+00  0.587359D+00  0.185946D+00  0.212396D+01
      2  -0.214522D+01  0.587359D+00  0.114627D+01  0.308833D+00 -0.143307D+00
      3  -0.687606D+01  0.185946D+00  0.308833D+00  0.100639D+01 -0.700642D+00
               221           222           223           224           225 
      1  -0.143307D+00 -0.700642D+00  0.973746D+00  0.133265D+00  0.109455D+00
      2   0.709132D+01  0.167037D+01  0.133265D+00  0.529628D+00  0.657845D+00
      3   0.167037D+01  0.184596D+01  0.109455D+00  0.657845D+00  0.712283D+00
               226           227           228           229           230 
      1   0.647901D+00 -0.932710D+00  0.921062D+00 -0.122377D+01  0.610142D+00
      2  -0.932710D+00  0.115379D+01 -0.431320D+00  0.610142D+00 -0.105579D+01
      3   0.921062D+00 -0.431320D+00  0.269396D+01 -0.163286D+00  0.154506D+01
               231           232           233           234           235 
      1  -0.163286D+00  0.265947D+01 -0.474231D+00  0.646199D+00 -0.990758D+01
      2   0.154506D+01 -0.474231D+00  0.148317D+01 -0.138538D+01  0.200001D+00
      3  -0.255465D+01  0.646199D+00 -0.138538D+01  0.488128D+01  0.327664D+01
               236           237           238           239           240 
      1   0.200001D+00  0.327664D+01 -0.699022D+00 -0.906950D+00  0.307220D+00
      2  -0.112617D+01 -0.787883D-01 -0.906950D+00  0.207665D+00  0.508449D+00
      3  -0.787883D-01 -0.217651D+01  0.307220D+00  0.508449D+00 -0.525008D+00
               241           242           243 
      1   0.193018D+01  0.372699D-01 -0.133637D+01
      2   0.372699D-01  0.274101D+00 -0.219984D+00
      3  -0.133637D+01 -0.219984D+00  0.109779D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.616962D+01  0.956944D+01  0.543173D+01  0.896874D+01  0.931527D+01
      2  -0.834512D+01  0.237839D+01  0.752496D+01  0.685156D+01  0.291322D+00
      3  -0.289035D+01 -0.775859D+01  0.200980D+01 -0.395084D+00 -0.674262D+01
                 6             7             8             9            10 
      1  -0.209202D+01  0.580582D+01  0.480390D+01 -0.504598D+01  0.449642D+01
      2  -0.756393D+01  0.349034D+01 -0.766918D+01 -0.229126D+01  0.188443D+02
      3  -0.937340D+01  0.811504D+00 -0.114354D+02  0.115030D+01  0.927559D+01
                11            12            13            14            15 
      1  -0.512431D+01 -0.113579D+00 -0.655799D+01 -0.614088D+01 -0.508355D+01
      2  -0.837615D+01  0.460303D+01 -0.116269D+02 -0.383039D+01  0.764672D+00
      3  -0.201745D+01  0.772770D+01  0.723901D+01  0.125564D+02  0.985786D+01
                16            17            18            19            20 
      1   0.172983D+01  0.385152D+01 -0.383018D+00  0.223318D+01  0.290070D+01
      2   0.442038D+01  0.188117D+01  0.281320D+01 -0.276026D+02 -0.170168D+01
      3   0.992806D+01  0.104735D+02 -0.113024D+01 -0.157465D+02 -0.385997D+01
                21            22            23            24            25 
      1  -0.134133D+01  0.700532D+01  0.400369D+01 -0.232420D+01 -0.371393D+01
      2  -0.467544D+00  0.120095D+00 -0.660085D+01  0.447909D+01 -0.160208D+02
      3  -0.334513D+01  0.642587D+01 -0.596534D+01  0.252663D+01 -0.341068D+01
                26            27            28            29            30 
      1   0.397562D+01 -0.400431D+01 -0.843683D+01  0.438814D+00 -0.506166D+00
      2   0.255566D+01  0.349178D+00  0.310625D+02  0.555227D+01 -0.138717D+01
      3   0.367742D+00 -0.193334D+01  0.168176D+02  0.827266D+01  0.399188D-01
                31            32            33            34            35 
      1   0.524079D+01 -0.129064D+01 -0.292867D+01 -0.255856D+01  0.179511D+01
      2   0.131672D+02  0.344048D+01 -0.100395D+00 -0.204073D+02 -0.199825D+01
      3   0.364206D+02  0.966481D+01  0.291171D+01 -0.740171D+00 -0.298089D+00
                36            37            38            39            40 
      1   0.318051D+01  0.824361D+01 -0.132739D+01  0.915174D+00 -0.655216D+01
      2  -0.464392D+00 -0.222724D+02 -0.540437D+01  0.319442D+01 -0.125177D+02
      3   0.548077D+00 -0.232070D+02 -0.114176D+02 -0.743441D+00 -0.361858D+01
                41            42            43            44            45 
      1   0.228657D+00 -0.827265D+00  0.782207D+01  0.200930D+01 -0.379996D+00
      2  -0.380520D+01 -0.525695D+01 -0.138115D+02 -0.650506D+01 -0.115859D+02
      3  -0.402374D+01  0.161167D+01  0.124684D+01  0.289488D+01  0.370596D+01
                46            47            48            49            50 
      1  -0.617155D+01  0.818740D+01 -0.790823D-01  0.451358D+01 -0.657717D+01
      2   0.504361D+01  0.498041D+01 -0.662424D+01  0.386961D+01 -0.288444D+00
      3   0.151239D+02  0.154335D+02  0.104625D+01  0.244309D+02  0.587003D+01
                51            52            53            54            55 
      1  -0.135425D+02 -0.179903D-01 -0.287093D+01  0.924545D+01  0.371310D+01
      2  -0.105223D+01 -0.175180D+02  0.787061D+00  0.822233D+01 -0.549045D+01
      3  -0.232084D+01  0.101306D+00  0.410621D+00 -0.116330D+01 -0.120049D+02
                56            57            58            59            60 
      1  -0.152999D+01 -0.121154D+01  0.250215D+01  0.301065D+01  0.337225D+00
      2  -0.101110D+01  0.163204D+02 -0.472623D+01  0.266979D+01  0.598260D+01
      3  -0.180520D+02 -0.259274D+01 -0.142383D+02 -0.138953D+02 -0.452333D+01
                61            62            63            64            65 
      1   0.105366D+01  0.403635D+01 -0.307825D+01 -0.429254D+01  0.503527D+01
      2   0.256265D+01  0.226298D+01  0.127440D+02 -0.150727D+02  0.149423D+02
      3  -0.570708D+01 -0.879488D+01 -0.400156D+01  0.796536D+00 -0.595935D+01
                66            67            68            69            70 
      1  -0.503857D+01  0.702004D+01  0.208019D+01 -0.708219D+01 -0.735354D+01
      2  -0.105690D+01  0.140486D+02  0.116971D+02  0.191528D-01 -0.128297D+02
      3  -0.105188D+02  0.418574D+01 -0.100032D+02 -0.173135D+02 -0.113383D+02
                71            72            73            74            75 
      1  -0.133090D+01  0.378639D+01 -0.147539D+01  0.488244D+01 -0.577534D+01
      2   0.309799D+01  0.588422D+01  0.656492D+01  0.220499D+01  0.131086D+02
      3  -0.161791D+02  0.320480D+01 -0.207550D+01 -0.123363D+02  0.424601D+00
                76            77            78            79            80 
      1   0.198227D+01  0.263525D+01  0.484917D+01 -0.450982D+01  0.949019D+01
      2   0.350923D+00  0.415285D+01 -0.546634D+01  0.552254D+01 -0.774808D+01
      3  -0.593803D+01 -0.138158D+02 -0.961932D+01  0.201606D+01 -0.850604D+01
                81            82            83            84            85 
      1  -0.518093D-01 -0.324430D+01 -0.120552D+02  0.839601D+01 -0.132632D+02
      2  -0.112936D+02  0.633056D+01  0.534009D+01 -0.334366D+01  0.791777D+01
      3   0.122885D+02  0.360462D+00 -0.893311D+01 -0.414648D+01  0.350210D+01
                86            87            88            89            90 
      1   0.621058D+00 -0.416338D+01  0.802275D+01  0.221717D+01  0.416200D+00
      2   0.620427D+01  0.227013D+01 -0.391055D+01  0.342640D+01 -0.297798D+01
      3   0.150266D+02  0.512222D+01 -0.994202D+00  0.104851D+02 -0.100244D+02
                91            92            93            94            95 
      1   0.204257D+01 -0.613132D+01  0.316054D+01  0.201504D+01 -0.690241D+01
      2   0.277260D+01 -0.106943D+01  0.182275D+02  0.128453D+00  0.890755D+01
      3   0.632847D+01 -0.102603D+02 -0.189396D+01 -0.109290D+01 -0.150700D+02
                96            97            98            99           100 
      1  -0.905150D+01 -0.500991D+00  0.228793D+01  0.383161D+01 -0.909944D+00
      2  -0.101886D+02  0.968061D+01 -0.803528D+01  0.198503D-01 -0.410467D+01
      3  -0.488638D+01 -0.138640D+01 -0.450741D+00  0.589739D+01  0.702616D+01
               101           102           103           104           105 
      1   0.192355D+01 -0.204285D+01  0.374601D+00  0.751900D-01 -0.146892D+01
      2  -0.364070D+00  0.532349D+01 -0.642395D+00 -0.595915D+00  0.109203D+01
      3  -0.637823D+01  0.110069D+01 -0.301401D+00 -0.104427D+00  0.483836D+00
               106           107           108           109           110 
      1  -0.909237D+00  0.529436D-03 -0.655839D+00 -0.756453D+00 -0.167986D+01
      2   0.940031D+00  0.131197D+01  0.228604D+01  0.415392D+01 -0.168897D+01
      3   0.290862D+00  0.404571D+00 -0.480574D+00 -0.222011D+01  0.242221D+01
               111           112           113           114           115 
      1   0.270650D+01 -0.714876D+00 -0.727141D+00 -0.211963D+01  0.647366D+00
      2  -0.651692D+01 -0.806557D+00  0.321454D+01  0.369854D+01 -0.583117D+01
      3   0.236913D+01  0.247149D+01 -0.155588D+01 -0.233038D+01  0.226974D+01
               116           117           118           119           120 
      1   0.207576D+01 -0.755043D+01  0.619935D+00  0.434059D+00  0.666525D-01
      2   0.549191D+01  0.207757D+02 -0.193858D+01 -0.503819D+00  0.621676D+00
      3  -0.431620D+01 -0.613491D+01  0.494832D+00 -0.118634D+01 -0.280134D+00
               121           122           123           124           125 
      1   0.989857D+00  0.202430D+01  0.576980D+00 -0.246633D+00  0.487873D+01
      2  -0.183188D+01 -0.627571D+00 -0.183838D+01 -0.434642D+01 -0.950954D+00
      3   0.179169D+01  0.503047D+00  0.885607D+00 -0.137491D+00  0.497379D+00
               126           127           128           129           130 
      1   0.306647D+01 -0.689200D+00  0.338170D+01  0.218398D+01  0.177597D+01
      2  -0.604272D+01 -0.129617D+01  0.412450D+00  0.457027D+00 -0.434327D+00
      3   0.139324D+01 -0.913220D+01  0.954127D+01  0.405347D+00  0.948292D+01
               131           132           133           134           135 
      1  -0.503631D+01 -0.494924D+01 -0.883980D-01 -0.221315D+01 -0.173400D+01
      2  -0.132599D+01  0.215003D+00 -0.666609D+00  0.132637D+01  0.567334D+00
      3  -0.177674D+02 -0.444301D+00  0.223994D+01 -0.420053D+01 -0.150863D+01
               136           137           138           139           140 
      1   0.327937D+01  0.147142D+01 -0.574866D+01  0.163698D+01  0.168947D+01
      2  -0.331965D+00 -0.152344D+01  0.470835D+01 -0.167315D+01 -0.198355D+01
      3   0.391870D+01 -0.202715D+01 -0.129772D+01  0.356142D+00 -0.285465D+01
               141           142           143           144           145 
      1  -0.268414D+01 -0.528111D+01 -0.742109D+00  0.932398D+01  0.180599D+01
      2   0.211633D+01 -0.245465D+00  0.259506D+01 -0.613952D+01 -0.296029D+01
      3   0.409049D+00 -0.414035D+01  0.143993D+01  0.135641D+01 -0.428460D+01
               146           147           148           149           150 
      1   0.812696D+00  0.323887D+01 -0.148162D+00 -0.135035D+01 -0.166244D+01
      2  -0.937085D+00  0.350634D+01  0.170007D+01  0.539337D+00 -0.274491D+00
      3  -0.276876D+01 -0.648982D+00  0.180267D+01  0.250778D+01  0.751204D-01
               151           152           153           154           155 
      1   0.131693D+01  0.747654D+00  0.414224D+01 -0.217753D+01 -0.475182D+01
      2  -0.251728D+01 -0.412724D+00  0.368528D+01  0.240118D+01  0.174694D+01
      3  -0.289319D+01 -0.287992D+00 -0.645477D+00  0.708754D+01  0.570303D+01
               156           157           158           159           160 
      1  -0.296797D+01 -0.326236D+01 -0.102873D+02 -0.540164D+01 -0.197853D+01
      2   0.711217D-01  0.141249D+01  0.278216D+01 -0.156537D-02 -0.955413D+00
      3   0.802158D+00  0.742183D+01  0.133640D+02  0.137318D+01  0.337215D+01
               161           162           163           164           165 
      1  -0.354523D+01 -0.380813D+01  0.648987D+01 -0.463524D+01 -0.437496D+01
      2   0.414327D+00 -0.153036D+00  0.125019D+02 -0.245364D+01 -0.533182D+01
      3   0.583663D+01  0.204928D+01  0.590642D+01 -0.104562D+01 -0.324552D+01
               166           167           168           169           170 
      1  -0.455812D+01  0.330283D+01  0.157242D+01 -0.471013D+01  0.376263D+01
      2  -0.594225D+01  0.243797D+01  0.328478D+01 -0.865100D+01  0.181946D+01
      3   0.952933D-01  0.838143D+00  0.112445D+01 -0.320916D+01  0.161556D+01
               171           172           173           174           175 
      1   0.674944D+01  0.505678D+00  0.409051D+00 -0.108913D+01  0.479380D-01
      2   0.833236D+01 -0.184862D+01 -0.469260D+01 -0.276558D+01 -0.272923D+01
      3   0.333013D+01  0.429774D+01  0.631437D+01  0.410330D+01  0.326592D+01
               176           177           178           179           180 
      1   0.226216D+01 -0.288382D+01  0.625051D+00  0.149770D+01 -0.257451D+01
      2  -0.982086D+01 -0.739199D+01 -0.113144D+01 -0.722643D+01 -0.796311D+01
      3   0.193228D+02  0.973765D+01  0.233505D+01  0.100885D+02  0.689103D+01
               181           182           183           184           185 
      1   0.456362D+01 -0.207872D+01  0.355316D+01 -0.248417D+01  0.129255D+01
      2   0.112703D+02 -0.506237D+01  0.931269D+01 -0.435036D+01  0.191611D+01
      3  -0.684281D+00 -0.556854D+01  0.849312D+00 -0.229305D+01  0.480067D+01
               186           187           188           189           190 
      1  -0.185120D+01  0.291937D+01 -0.262982D+00  0.274618D+01 -0.239399D+01
      2  -0.324006D+01  0.739952D+01 -0.313586D+01  0.741800D+01 -0.181475D+01
      3   0.415425D+00  0.150330D+01 -0.289101D+01  0.293008D+00 -0.401861D+01
               191           192           193           194           195 
      1  -0.237582D+01  0.259784D+01 -0.229706D+01 -0.611328D+01  0.362434D+01
      2  -0.240936D+01  0.505207D+01 -0.281337D+01 -0.528214D+01  0.750311D+01
      3  -0.391090D+01  0.455558D+01 -0.285424D+01 -0.906454D+01  0.717110D+01
               196           197           198           199           200 
      1   0.351747D+01  0.617826D+01 -0.586902D+01 -0.586960D-01 -0.324486D+00
      2   0.388049D+01  0.403663D+01 -0.126326D+02  0.457745D+00  0.293923D+00
      3   0.458281D+01  0.825072D+01 -0.684656D+01  0.516891D+00  0.547686D+00
               201           202           203           204           205 
      1   0.447454D+00 -0.418325D+01 -0.527280D+00 -0.229675D+01  0.149525D+01
      2  -0.218053D+00 -0.136859D+01 -0.145695D+01 -0.663266D+00 -0.292450D+01
      3   0.771269D+00  0.245570D+01 -0.617541D-01  0.109469D+00  0.190235D+01
               206           207           208           209           210 
      1   0.200403D+01 -0.336888D+01  0.891277D+00 -0.411155D+00  0.152538D-01
      2   0.185317D+00 -0.241720D+01  0.105567D+01 -0.462901D-01  0.624908D+00
      3   0.768976D+00 -0.103762D+00 -0.152628D+01 -0.714239D+00 -0.453130D+00
               211           212           213           214           215 
      1  -0.189409D+01  0.137473D+01 -0.187460D+00  0.678466D+00  0.417256D+01
      2  -0.922511D-01  0.291412D+01  0.458067D+01 -0.378009D+01  0.393636D+01
      3   0.344791D+01 -0.179537D+01 -0.277572D+01 -0.547281D+00 -0.333782D+01
               216           217           218           219           220 
      1  -0.165323D+00  0.996620D-02  0.243391D+01  0.328104D+00 -0.463324D+00
      2   0.123081D+02 -0.136174D+01 -0.239469D+01 -0.297961D+01 -0.630549D+00
      3  -0.457062D+01  0.236155D+01  0.414034D+01  0.124873D+01  0.209698D+01
               221           222           223           224           225 
      1   0.118766D+02  0.113178D+01  0.143045D+01  0.101764D+01  0.488647D+00
      2  -0.711560D+01 -0.504258D+01 -0.878389D+00 -0.215181D+01 -0.314755D+01
      3   0.247409D+02  0.570559D+01  0.155072D+01  0.156679D+01  0.232709D+01
               226           227           228           229           230 
      1  -0.869420D+00  0.264322D+01 -0.352332D+01  0.162023D+00 -0.305685D+01
      2  -0.683343D+01  0.358035D+01 -0.114887D+02  0.298733D+01 -0.740695D+01
      3  -0.245778D+01  0.263494D+01 -0.147547D+01  0.182317D+01 -0.308698D+01
               231           232           233           234           235 
      1   0.391513D+01 -0.209108D+01  0.419861D+01 -0.543087D+01 -0.124912D+01
      2   0.101688D+02 -0.710678D+01  0.599820D+01 -0.190851D+02  0.159918D+01
      3   0.545059D+01 -0.110577D+01  0.417948D+01 -0.443866D+01 -0.376868D+01
               236           237           238           239           240 
      1  -0.209841D+01  0.771216D+00 -0.641534D+00  0.101223D+00 -0.121463D+00
      2   0.322818D+00  0.623859D+01 -0.368432D+00 -0.102717D+01  0.190586D+01
      3  -0.622226D+01  0.107155D+01 -0.211539D+01  0.319118D+00  0.139874D+01
               241           242           243 
      1   0.599769D+00  0.137092D+01 -0.760603D+00
      2  -0.233261D+00  0.999636D+00 -0.199449D+01
      3   0.145939D+01  0.141738D+01 -0.145319D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.839118D+01  0.499837D+01 -0.642926D+01  0.610270D+00  0.609010D+01
      2   0.245698D+01 -0.191268D+02 -0.539422D+01 -0.134826D+02 -0.169232D+02
      3  -0.108482D+02  0.141284D+02  0.118235D+02  0.128723D+02  0.108331D+02
      4   0.112019D+02 -0.493109D+01  0.224672D+02 -0.196919D+01  0.545440D+01
      5  -0.180940D+02  0.183183D+02 -0.139382D+02  0.174717D+02  0.426225D+01
      6   0.131405D+02 -0.125049D+02  0.121066D+02 -0.828430D+01 -0.443478D+01
                 6             7             8             9            10 
      1   0.205524D+02 -0.595048D+01  0.211534D+02 -0.258755D+01 -0.283556D+01
      2  -0.135711D+02 -0.746958D+01 -0.167778D+02  0.737467D+01  0.745852D+01
      3  -0.698132D+01  0.134201D+02 -0.437563D+01 -0.478712D+01 -0.462296D+01
      4  -0.590228D+01  0.231455D+02 -0.796988D+01  0.400123D+01 -0.134500D+02
      5   0.624561D+01 -0.132230D+02  0.907445D+01 -0.749501D+01  0.126699D+02
      6   0.515829D+01  0.106587D+02  0.399181D+01  0.433843D+00 -0.126039D+02
                11            12            13            14            15 
      1  -0.175796D+01  0.813598D+01 -0.465007D+01 -0.103739D+02 -0.215350D+02
      2   0.463029D+01 -0.395114D+00  0.307028D+01  0.130211D+02  0.749520D+01
      3  -0.287234D+01 -0.774087D+01  0.157979D+01 -0.264720D+01  0.140398D+02
      4   0.174074D+00 -0.209196D+02  0.209163D+01 -0.263280D+02 -0.606567D+01
      5  -0.172618D+02 -0.337050D+01 -0.193189D+02 -0.159042D+02  0.167440D+01
      6   0.884756D+01 -0.400123D+01 -0.190312D+01 -0.179096D+01 -0.763845D+01
                16            17            18            19            20 
      1   0.790514D+01 -0.204633D+02 -0.290439D+01  0.419044D+02  0.105660D+02
      2   0.584491D+01  0.106182D+02 -0.293617D+01 -0.409211D+02 -0.150153D+02
      3  -0.137500D+02  0.984504D+01  0.584056D+01 -0.983241D+00  0.444930D+01
      4  -0.302719D+02 -0.105467D+01 -0.433933D-01  0.798613D+01 -0.105505D+02
      5  -0.588353D+01  0.124673D+01  0.244035D+01  0.168447D+02  0.533242D+01
      6  -0.466771D+01 -0.448334D+01  0.165337D+01  0.108678D+02 -0.384437D+00
                21            22            23            24            25 
      1   0.434860D+01  0.194579D+02  0.690512D+01  0.710105D+01 -0.204891D+00
      2  -0.359934D+01 -0.188298D+02 -0.126061D+02  0.266622D+01 -0.515661D+01
      3  -0.749262D+00 -0.628011D+00  0.570102D+01 -0.976727D+01  0.536151D+01
      4   0.589882D+01 -0.307982D+02 -0.552080D+01 -0.308216D+01  0.144037D+02
      5   0.449230D+01  0.552019D+01  0.570598D+01  0.425619D+01  0.398912D+01
      6   0.332585D+01  0.780159D+01  0.700268D+01  0.746341D+00  0.316906D+01
                26            27            28            29            30 
      1   0.948777D+01  0.145449D+02 -0.126265D+03 -0.129722D+02 -0.587385D+01
      2  -0.190565D+01  0.597370D+01  0.861050D+02  0.813476D+01  0.614550D+01
      3  -0.758212D+01 -0.205186D+02  0.401604D+02  0.483746D+01 -0.271652D+00
      4  -0.539324D+01  0.879774D+01 -0.143673D+02 -0.113437D+02  0.221649D+00
      5   0.525472D+01  0.605288D+01 -0.383090D+02 -0.213320D+01 -0.136422D+02
      6  -0.434249D+00 -0.222961D+01 -0.177930D+02 -0.620148D+01  0.727178D-01
                31            32            33            34            35 
      1  -0.367313D+02 -0.267143D+02  0.363636D+01 -0.321950D+02 -0.155276D+00
      2   0.270048D+02  0.235208D+02 -0.284631D+01  0.191740D+02 -0.198636D+01
      3   0.972642D+01  0.319355D+01 -0.790050D+00  0.130210D+02  0.214163D+01
      4  -0.103096D+02 -0.108947D+02  0.136861D+01 -0.693583D+01  0.149489D+01
      5  -0.952177D+01 -0.512918D+01 -0.457821D+00 -0.118099D+02  0.180781D+01
      6  -0.589681D+01 -0.900568D+01  0.473620D+01 -0.190897D+01  0.112004D+01
                36            37            38            39            40 
      1  -0.117847D+02  0.180353D+03  0.302748D+02  0.203203D+02  0.327765D+02
      2   0.177604D+01 -0.110991D+03 -0.183866D+02 -0.136119D+02 -0.169570D+02
      3   0.100087D+02 -0.693623D+02 -0.118882D+02 -0.670839D+01 -0.158195D+02
      4   0.891144D+00  0.337335D+02  0.183907D+02 -0.705449D-02  0.325437D+02
      5   0.108352D+01  0.589286D+02  0.438203D+01  0.132736D+02  0.422958D+01
      6  -0.501517D+01  0.200662D+02  0.586871D+01 -0.177444D+00  0.104970D+02
                41            42            43            44            45 
      1   0.594510D+01  0.924244D+01  0.100488D+02  0.903348D+01  0.129004D+02
      2   0.174053D+01  0.213823D+01 -0.123173D+02 -0.327326D+01 -0.213737D+01
      3  -0.768563D+01 -0.113807D+02  0.226855D+01 -0.576022D+01 -0.107630D+02
      4   0.779189D+01  0.325803D+01 -0.762723D+01 -0.265894D+01 -0.968924D+01
      5   0.338246D+01 -0.117111D+02  0.167132D+02 -0.853166D+01 -0.108881D+02
      6   0.139697D+01  0.412086D+01 -0.143175D+00  0.199978D+01 -0.956966D+01
                46            47            48            49            50 
      1  -0.169647D+03 -0.322809D+02 -0.380937D+02 -0.524486D+02 -0.177683D+02
      2   0.941790D+02  0.150226D+02  0.204836D+02  0.275739D+02  0.121919D+02
      3   0.754678D+02  0.172584D+02  0.176101D+02  0.248747D+02  0.557640D+01
      4  -0.541208D+02 -0.262054D+02 -0.111604D+02 -0.111940D+02 -0.100243D+02
      5  -0.744143D+02 -0.150738D+02 -0.270725D+02 -0.275808D+02 -0.329158D+01
      6  -0.197574D+02 -0.250229D+01 -0.573103D+01  0.102265D+00 -0.576073D+01
                51            52            53            54            55 
      1  -0.115026D+02 -0.438085D+02 -0.120920D+02 -0.175237D+02  0.185207D+03
      2   0.989546D+01  0.157099D+02  0.112970D+01  0.145306D+02 -0.976044D+02
      3   0.160711D+01  0.280986D+02  0.109623D+02  0.299315D+01 -0.876029D+02
      4  -0.163284D+01 -0.217130D+02  0.108471D+01  0.499412D+01  0.475475D+02
      5   0.449051D+01 -0.248314D+02  0.560757D+01  0.174215D+02  0.703276D+02
      6   0.206492D+01  0.310535D+01 -0.491029D+01 -0.495211D+01  0.110252D+02
                56            57            58            59            60 
      1   0.316327D+02  0.383437D+02  0.578231D+02  0.292997D+02  0.559408D+01
      2  -0.122359D+02 -0.247190D+02 -0.254715D+02 -0.705953D+01 -0.142603D+01
      3  -0.193968D+02 -0.136248D+02 -0.323516D+02 -0.222401D+02 -0.416805D+01
      4   0.335670D+02  0.104881D+02  0.544222D+02  0.347451D+02  0.172699D+02
      5   0.126337D+02  0.389617D+02  0.206168D+02  0.189417D+02  0.923727D+01
      6   0.621724D+01  0.494732D+01  0.107060D+02  0.888017D+01  0.977535D+01
                61            62            63            64            65 
      1   0.876543D+02  0.119934D+02  0.282936D+02 -0.281269D+02  0.152320D+02
      2  -0.534365D+02 -0.515085D+01 -0.256070D+02  0.862863D+01 -0.483522D+01
      3  -0.342178D+02 -0.684252D+01 -0.268664D+01  0.194982D+02 -0.103968D+02
      4   0.232607D+02  0.136469D+02  0.115739D+02  0.161873D+02 -0.514571D+00
      5   0.660043D+02  0.137080D+02  0.402724D+02 -0.200355D+02  0.246410D+02
      6   0.106410D+02  0.101868D+02  0.587700D+01  0.109607D+02 -0.111272D+02
                66            67            68            69            70 
      1  -0.155539D+02  0.893769D+01  0.105506D+02  0.338424D+02 -0.249794D+02
      2  -0.838772D+00  0.136635D+01 -0.676802D+01 -0.253188D+02  0.160972D+01
      3   0.163927D+02 -0.103040D+02 -0.378255D+01 -0.852356D+01  0.233697D+02
      4   0.294138D+02 -0.496889D+01  0.100309D+02  0.102880D+02  0.352490D+02
      5   0.413657D+00  0.253435D+02  0.152539D+02 -0.128891D+02 -0.304534D+01
      6  -0.495982D+01 -0.754540D+01 -0.119359D+02 -0.603564D+01 -0.336061D+01
                71            72            73            74            75 
      1   0.348988D+02 -0.498349D+01 -0.471759D+02 -0.177296D+02 -0.132070D+02
      2  -0.261639D+02  0.557129D+01  0.197430D+02  0.833830D+01 -0.253686D+01
      3  -0.873493D+01 -0.587793D+00  0.274330D+02  0.939125D+01  0.157439D+02
      4   0.752043D+01 -0.505234D+01 -0.234685D+02  0.371225D+00 -0.331161D+01
      5  -0.915068D+01  0.927420D+01 -0.161928D+02 -0.394320D+01  0.996668D+01
      6  -0.690971D+01  0.254493D+00 -0.304063D+01 -0.320210D+01  0.866242D+01
                76            77            78            79            80 
      1  -0.151941D+02  0.797990D+01 -0.361795D+01 -0.316810D+01 -0.170355D+01
      2   0.117214D+02 -0.107127D+01  0.115346D+02 -0.579407D+01  0.801512D+01
      3   0.347267D+01 -0.690863D+01 -0.791668D+01  0.896217D+01 -0.631157D+01
      4   0.888361D+01  0.291333D+02  0.111177D+02  0.126759D+00  0.356129D+01
      5  -0.624099D+01  0.181617D+02 -0.857728D+01  0.128704D+02 -0.864462D+01
      6   0.411783D+01  0.103738D+02 -0.136765D+01  0.675145D+01 -0.380191D+01
                81            82            83            84            85 
      1   0.228321D+02 -0.957040D+01 -0.122214D+02 -0.865989D+01 -0.140138D+02
      2  -0.544622D+01  0.153251D+02  0.292708D+02  0.108017D+02  0.262442D+02
      3  -0.173859D+02 -0.575473D+01 -0.170494D+02 -0.214181D+01 -0.122304D+02
      4  -0.422261D+01  0.641403D+01  0.967439D+01  0.905809D+01  0.205934D+02
      5  -0.710870D+01  0.402765D+00  0.897181D+01 -0.173561D+02  0.745777D+01
      6  -0.918448D+01  0.344470D+00  0.883710D+01 -0.156514D+02  0.210498D+01
                86            87            88            89            90 
      1   0.117254D+02  0.679460D+01 -0.255053D+02  0.797037D+01 -0.123863D+02
      2  -0.120159D+02 -0.588801D+01  0.255581D+02 -0.582248D+01  0.932815D+01
      3   0.290498D+00 -0.906585D+00 -0.527629D-01 -0.214789D+01  0.305817D+01
      4   0.123539D+02  0.581316D+01  0.157733D+02  0.117113D+02 -0.103883D+02
      5  -0.244326D+01  0.277787D+00 -0.249218D+02 -0.615189D+01  0.470270D+01
      6  -0.458980D+01 -0.144741D+01 -0.193405D+02 -0.325728D+01  0.562322D+01
                91            92            93            94            95 
      1  -0.577586D+02 -0.343952D+01  0.338990D+02 -0.117373D+02  0.236827D+02
      2   0.354757D+02 -0.385449D+01 -0.982242D+01  0.391420D+01 -0.186320D+02
      3   0.222829D+02  0.729401D+01 -0.240766D+02  0.782306D+01 -0.505072D+01
      4  -0.229974D+01  0.158685D+02  0.826272D+00  0.104772D+02  0.234348D+02
      5   0.307129D+02  0.261885D+01  0.104084D+02  0.686916D+01  0.342923D+01
      6   0.219063D+01 -0.735876D+01  0.136923D+01 -0.469603D+01 -0.106704D+02
                96            97            98            99           100 
      1  -0.247789D+01  0.181869D+02 -0.480770D+01  0.155072D+02  0.814657D+02
      2  -0.108146D+02 -0.267310D+01 -0.358582D+01 -0.922829D+01 -0.393318D+02
      3   0.132925D+02 -0.155138D+02  0.839352D+01 -0.627892D+01 -0.421339D+02
      4   0.611916D+01  0.336819D+01  0.147125D+01 -0.143090D+02  0.358127D+02
      5  -0.132580D+02  0.161776D+02 -0.124095D+02 -0.146424D+02  0.254121D+02
      6  -0.377092D+01 -0.128598D+01  0.218374D+01  0.116380D+02  0.779022D+01
               101           102           103           104           105 
      1   0.153902D+02  0.134799D+02  0.697386D+01  0.713164D+01  0.122387D+01
      2  -0.395186D+01 -0.825225D+01 -0.242208D+00  0.491628D+00 -0.125784D+01
      3  -0.114384D+02 -0.522763D+01 -0.673166D+01 -0.762327D+01  0.339641D-01
      4   0.206063D+02  0.780236D+01  0.159944D+02  0.755335D+01  0.271398D+01
      5   0.654704D+01  0.148600D+02  0.347154D+01  0.208493D+01  0.239868D+01
      6   0.462661D+01  0.438687D+01  0.320045D+01  0.568265D+00  0.295394D+01
               106           107           108           109           110 
      1   0.319481D+01  0.943839D+00  0.469645D+01  0.756424D+00  0.577721D+01
      2  -0.273118D+01 -0.231983D+01 -0.444877D+01 -0.228108D+01 -0.334439D+01
      3  -0.463628D+00  0.137599D+01 -0.247675D+00  0.152465D+01 -0.243282D+01
      4   0.244686D+01  0.152089D+00  0.515762D+01  0.210646D+01 -0.187800D+01
      5   0.112467D+02  0.427701D+01  0.642869D+01  0.272564D+01 -0.107717D+00
      6   0.311869D+01  0.272174D+01  0.330638D+01  0.351069D+01 -0.339495D+01
               111           112           113           114           115 
      1   0.104619D+02  0.264856D+01 -0.722086D+01 -0.456817D+01  0.770236D+01
      2   0.220876D+00 -0.189618D+01  0.328082D+01  0.173573D+01 -0.349131D+01
      3  -0.106827D+02 -0.752383D+00  0.394004D+01  0.283244D+01 -0.421105D+01
      4   0.990834D+00  0.192046D+01  0.173218D+01  0.360636D+01  0.363319D+01
      5  -0.417177D+01  0.164019D+01  0.242842D+01  0.549742D+01  0.484787D+01
      6  -0.625016D+01 -0.827735D+00  0.577692D+01  0.105635D+02  0.491707D+00
               116           117           118           119           120 
      1  -0.752356D+01 -0.236094D+02  0.599654D+00 -0.149712D+00 -0.203318D+01
      2   0.140000D+01 -0.874947D+01 -0.403701D+01 -0.988899D-01 -0.172203D+00
      3   0.612356D+01  0.323589D+02  0.343735D+01  0.248602D+00  0.220538D+01
      4   0.815590D+01  0.788456D+01 -0.116335D+01  0.280974D+01  0.450193D+00
      5   0.916381D+01  0.287813D+02 -0.488368D+00  0.138872D+01  0.664844D+01
      6   0.116189D+02  0.219485D+02  0.133599D+01  0.231318D+00 -0.373663D-01
               121           122           123           124           125 
      1   0.996867D+00 -0.664435D+01 -0.540933D+01 -0.109075D+01 -0.272278D+01
      2  -0.634891D+00  0.217180D+01 -0.228903D+01  0.127795D+01 -0.259231D+01
      3  -0.361976D+00  0.447255D+01  0.769837D+01 -0.187194D+00  0.531510D+01
      4   0.218446D+01 -0.249140D+01 -0.219906D+01 -0.811085D-02 -0.286950D+01
      5   0.200894D+01 -0.240253D+01 -0.334941D+01  0.553772D+01 -0.247894D+01
      6  -0.149889D+00  0.220583D+01  0.682222D+01 -0.621984D+00  0.589473D+01
               126           127           128           129           130 
      1  -0.239326D+02 -0.743391D+01  0.194784D+02  0.751015D+00  0.108903D+02
      2  -0.125376D+02  0.987081D+01 -0.278275D+02 -0.151924D+01 -0.140463D+02
      3   0.364702D+02 -0.243690D+01  0.834914D+01  0.768226D+00  0.315606D+01
      4  -0.420783D+01 -0.493665D+01  0.225000D+01 -0.629226D+00  0.616040D+01
      5  -0.120527D+02  0.573980D+00 -0.849093D+00  0.164041D+01 -0.911837D+00
      6   0.228936D+01  0.234905D+00  0.206448D+00 -0.221246D+01  0.268911D+00
               131           132           133           134           135 
      1  -0.350982D+02 -0.393900D+00  0.409317D+01 -0.646766D+01 -0.398825D+01
      2   0.543558D+02  0.155885D+01 -0.377001D+01  0.994283D+01  0.482135D+01
      3  -0.192576D+02 -0.116495D+01 -0.323155D+00 -0.347517D+01 -0.833103D+00
      4   0.829233D+01 -0.455579D+00  0.381002D+00  0.146200D+01  0.208004D+01
      5   0.231998D+00  0.225300D+01  0.360989D+01  0.248961D+01  0.414340D-01
      6  -0.878855D+00  0.744846D+01  0.755592D+00  0.818775D+01  0.164368D+01
               136           137           138           139           140 
      1   0.112211D+02  0.101209D+01 -0.216414D+01  0.313015D+01 -0.528527D+01
      2  -0.482144D+01  0.197715D+01  0.660417D+00 -0.750350D+00  0.917142D+01
      3  -0.639969D+01 -0.298924D+01  0.150372D+01 -0.237980D+01 -0.388615D+01
      4   0.168072D+02  0.138863D+02 -0.113641D+02  0.100259D+02  0.109586D+02
      5  -0.168238D+02 -0.981369D+01  0.176780D+02 -0.555414D+01 -0.860179D+01
      6  -0.102796D+02 -0.905277D+01  0.122247D+02 -0.644906D+01 -0.988218D+01
               141           142           143           144           145 
      1   0.256349D+01  0.225298D+00  0.625863D+01 -0.586775D+01  0.148725D+02
      2  -0.399846D+01 -0.112220D+01 -0.723195D+01 -0.239565D+01 -0.102823D+02
      3   0.143497D+01  0.896899D+00  0.973314D+00  0.826339D+01 -0.459017D+01
      4  -0.891582D+01 -0.169581D+02 -0.154401D+02  0.153167D+02 -0.244378D+02
      5   0.764476D+01  0.207767D+02  0.140295D+02 -0.248125D+02  0.265702D+02
      6   0.965028D+01  0.154229D+02  0.166015D+02 -0.225389D+02 -0.133273D+02
               146           147           148           149           150 
      1  -0.105374D+01  0.197867D+01 -0.878734D+00 -0.323431D+01  0.166350D+01
      2  -0.124771D+01 -0.625571D+01 -0.568933D+00  0.697067D+01 -0.107575D+01
      3   0.230146D+01  0.427705D+01  0.144767D+01 -0.373636D+01 -0.587753D+00
      4   0.188665D+02 -0.165420D+02  0.131764D+02 -0.134975D+02  0.991889D+01
      5  -0.141608D+02  0.238494D+02 -0.892765D+01  0.878795D+01 -0.839591D+01
      6   0.129179D+02 -0.144376D+02  0.872016D+01 -0.103863D+02  0.100302D+02
               151           152           153           154           155 
      1   0.375835D+01  0.192271D+01 -0.320040D+01 -0.608880D+01 -0.109902D+02
      2  -0.598537D+01  0.607956D-02 -0.756535D+01  0.759191D+01  0.168681D+02
      3   0.222701D+01 -0.192879D+01  0.107657D+02 -0.150311D+01 -0.587784D+01
      4  -0.138820D+02  0.104674D+02 -0.131759D+02  0.203932D+01  0.275176D+01
      5   0.197695D+02 -0.113683D+02  0.219966D+02 -0.111590D+01 -0.438505D+01
      6  -0.110466D+02  0.113983D+02 -0.158283D+02 -0.137822D+01 -0.182248D+01
               156           157           158           159           160 
      1   0.927154D+00 -0.663397D+01 -0.246764D+02 -0.126036D+01 -0.228370D+01
      2   0.237014D+01  0.102294D+02  0.410006D+02  0.557267D+01  0.377421D+01
      3  -0.329729D+01 -0.359539D+01 -0.163242D+02 -0.431232D+01 -0.149051D+01
      4  -0.117392D+01  0.486294D+01 -0.900382D+01  0.777580D+00  0.228354D+00
      5   0.767473D+00 -0.455165D+01 -0.487356D+01 -0.386305D+01  0.601890D+00
      6   0.199051D+01 -0.344598D+00 -0.604670D+01  0.617258D+01  0.291561D+00
               161           162           163           164           165 
      1  -0.947864D+01 -0.328363D+01 -0.631284D+01 -0.262195D+01  0.111818D+02
      2   0.152871D+02  0.436851D+01 -0.509374D+01  0.614290D+01  0.437333D+01
      3  -0.580850D+01 -0.108487D+01  0.114066D+02 -0.352095D+01 -0.155551D+02
      4  -0.369892D+01 -0.935064D+00  0.687740D+01 -0.143973D+01 -0.542953D+01
      5  -0.339040D+01 -0.205847D+01 -0.429473D+01 -0.696333D+00  0.285126D+01
      6   0.353639D+01  0.387332D+01 -0.181150D+01 -0.260617D+01  0.421174D+01
               166           167           168           169           170 
      1   0.150327D+01 -0.258186D+01 -0.696626D+01  0.886524D+01 -0.228174D+01
      2   0.394308D+01 -0.546428D-02 -0.194901D+01  0.407792D+01 -0.190995D+01
      3  -0.544635D+01  0.258733D+01  0.891526D+01 -0.129432D+02  0.419169D+01
      4  -0.291259D+01  0.291584D+01  0.163242D+01 -0.677630D+01  0.226316D+01
      5   0.224234D+00 -0.943701D+00  0.213367D+01  0.540142D+01 -0.135691D+01
      6  -0.224596D+01  0.325248D+01  0.731869D+00  0.178674D+01  0.376611D+01
               171           172           173           174           175 
      1  -0.147505D+02 -0.278120D+01 -0.123235D+02 -0.545896D+01 -0.944215D+01
      2  -0.888148D+01  0.291841D+01  0.101846D+02  0.295597D+01  0.389107D+01
      3   0.236320D+02 -0.137208D+00  0.213893D+01  0.250300D+01  0.555109D+01
      4   0.453394D+01 -0.812178D+00 -0.431219D+01 -0.453881D+01  0.780187D+01
      5   0.180471D+01  0.205832D+01 -0.379863D+01 -0.288418D+01  0.224171D+01
      6  -0.592539D+01  0.150274D+01  0.683641D+01  0.542674D+01 -0.472668D+00
               176           177           178           179           180 
      1  -0.222393D+02 -0.135387D+02 -0.282430D+01 -0.142720D+02 -0.100867D+02
      2   0.261482D+02  0.961437D+01  0.220940D+01  0.102428D+02  0.326510D+01
      3  -0.390891D+01  0.392432D+01  0.614900D+00  0.402929D+01  0.682165D+01
      4  -0.286095D+02 -0.134893D+02  0.288723D+00 -0.134879D+02 -0.927301D+01
      5  -0.136178D+02 -0.107236D+02  0.464275D+01 -0.929794D+01 -0.129771D+02
      6   0.204187D+02  0.150726D+02 -0.185570D-01  0.146482D+02  0.129410D+02
               181           182           183           184           185 
      1   0.692210D+02 -0.183664D+02  0.134126D+02 -0.166398D+02  0.849511D+01
      2  -0.279069D+02  0.314658D+01 -0.362851D+01  0.187140D+01  0.141766D+01
      3  -0.413141D+02  0.152198D+02 -0.978405D+01  0.147684D+02 -0.991277D+01
      4  -0.365672D+02  0.205842D+02 -0.854502D+01  0.218098D+02 -0.166936D+02
      5   0.816186D+01 -0.408370D+01  0.127008D+02 -0.378038D+01  0.124082D+01
      6  -0.340734D+01  0.141610D+01 -0.381467D+01  0.138034D+01  0.156386D+00
               186           187           188           189           190 
      1  -0.548465D+01  0.314058D+02 -0.100272D+02  0.110123D+02  0.183328D+02
      2   0.149743D+01 -0.110044D+02  0.206179D+01 -0.517811D+01 -0.129121D+02
      3   0.398722D+01 -0.204013D+02  0.796538D+01 -0.583422D+01 -0.542074D+01
      4   0.381211D+01 -0.205447D+02  0.119278D+02 -0.711403D+01  0.222480D+01
      5  -0.308912D+01  0.130571D+02 -0.424448D+01  0.115976D+02 -0.135563D+02
      6   0.380387D+01 -0.443385D+01  0.359311D+01 -0.478143D+01 -0.131436D+01
               191           192           193           194           195 
      1   0.441445D+01 -0.869801D+01  0.139739D+02  0.316703D+01 -0.908298D+01
      2  -0.472088D+01  0.100986D+02 -0.112586D+02 -0.482075D+01  0.126269D+02
      3   0.306436D+00 -0.140061D+01 -0.271523D+01  0.165372D+01 -0.354390D+01
      4   0.597914D+01 -0.579867D+01  0.580495D+01  0.133123D+02 -0.926696D+01
      5  -0.813596D+01  0.151729D+02 -0.151457D+02 -0.111889D+02  0.182806D+02
      6  -0.268845D+00  0.156369D+00 -0.232594D+00 -0.361058D+01  0.289213D+01
               196           197           198           199           200 
      1  -0.115343D+02 -0.638316D+01  0.761963D+01  0.502209D+00 -0.167637D+01
      2   0.135984D+02  0.984616D+01 -0.185049D+02  0.107418D+01  0.150887D+01
      3  -0.206411D+01 -0.346301D+01  0.108853D+02 -0.157639D+01  0.167500D+00
      4  -0.543669D+01 -0.105523D+02  0.717938D+01 -0.113132D+01  0.133673D+01
      5   0.213267D+02  0.106626D+02 -0.314943D+02 -0.378400D+01  0.950546D+00
      6  -0.468471D+00  0.495122D+01  0.570932D+00  0.583819D+00  0.125444D+00
               201           202           203           204           205 
      1  -0.240850D+01 -0.199740D+01 -0.535429D+00 -0.459350D+01 -0.356758D+01
      2   0.192697D+01 -0.160305D+01  0.775144D+00  0.229966D+01  0.286825D+01
      3   0.481525D+00  0.360045D+01 -0.239715D+00  0.229384D+01  0.699329D+00
      4   0.180216D+01  0.103507D+01 -0.880713D+00 -0.220283D+01  0.222319D+01
      5   0.399823D+01  0.448775D+00 -0.677853D+00 -0.202643D+01  0.370475D+01
      6  -0.252030D+00 -0.724997D+00  0.335872D+01  0.306444D+01 -0.167116D-01
               206           207           208           209           210 
      1  -0.514012D+01 -0.784072D+01 -0.216618D+00  0.110380D+01  0.283042D+01
      2   0.402066D+01  0.139482D+01 -0.192978D+01 -0.572078D+00 -0.690300D+00
      3   0.111946D+01  0.644590D+01  0.214640D+01 -0.531721D+00 -0.214012D+01
      4  -0.210994D+01 -0.403105D+01  0.150640D+01  0.194887D+01  0.189633D+01
      5  -0.328989D+01 -0.702284D+01  0.280744D+01  0.220594D+01  0.617622D+01
      6   0.439889D+01  0.661714D+01  0.206640D+01 -0.714596D-01  0.592333D+00
               211           212           213           214           215 
      1   0.221814D+01 -0.619827D+01 -0.824750D+01  0.333604D+01 -0.790900D+01
      2  -0.337264D+01  0.149553D+01 -0.625320D+00 -0.265538D+01  0.103667D+01
      3   0.115450D+01  0.470274D+01  0.887282D+01 -0.680663D+00  0.687233D+01
      4  -0.558579D+00  0.324223D+01  0.391088D+01  0.242551D+01  0.434900D+01
      5   0.328585D+01  0.479689D+01  0.894769D+01  0.469076D+01  0.686958D+01
      6  -0.776610D+00  0.514105D+01  0.648921D+01  0.153136D+01  0.810613D+01
               216           217           218           219           220 
      1  -0.240552D+02  0.267139D+01 -0.797638D+01 -0.577543D+01 -0.105183D+02
      2  -0.634551D+01  0.165684D+00  0.646315D+01  0.153985D+01  0.542087D+01
      3   0.304007D+02 -0.283707D+01  0.151323D+01  0.423558D+01  0.509741D+01
      4   0.573857D+01 -0.256908D+01 -0.353655D+01 -0.135822D+01  0.612963D+01
      5   0.222650D+02 -0.855698D+00  0.193948D+00 -0.395425D+01  0.741582D+01
      6   0.967674D+01  0.174638D+01  0.384841D+01  0.177491D+01 -0.137745D+01
               221           222           223           224           225 
      1  -0.207207D+02 -0.400260D+01 -0.442474D+01 -0.282295D+01 -0.661245D+01
      2   0.276267D+02  0.251931D+01  0.210380D+01  0.227131D+00  0.220522D+01
      3  -0.690602D+01  0.148329D+01  0.232094D+01  0.259582D+01  0.440723D+01
      4  -0.430088D+02 -0.105545D+02 -0.113803D+01 -0.298614D+01 -0.343487D+01
      5  -0.808562D+01 -0.114495D+02  0.868215D+00 -0.327906D+01 -0.347853D+01
      6   0.197513D+02  0.997120D+01  0.125349D+00  0.663373D+01  0.235259D+01
               226           227           228           229           230 
      1  -0.553461D+01  0.646022D+01 -0.158220D+02  0.799340D+01 -0.114163D+02
      2  -0.533486D+00 -0.110960D+01 -0.486940D+00 -0.370375D+01  0.426751D+01
      3   0.606810D+01 -0.535063D+01  0.163089D+02 -0.428966D+01  0.714875D+01
      4   0.392277D+01 -0.570246D+01  0.154188D+01 -0.161071D+01  0.461657D+01
      5  -0.211019D+00 -0.694932D-02 -0.948483D+01 -0.290169D+01 -0.632205D+01
      6  -0.272219D+01  0.452537D+01 -0.275510D+01  0.201516D+01 -0.546147D+01
               231           232           233           234           235 
      1   0.916084D+01 -0.164508D+02  0.749542D+01 -0.223197D+02  0.832135D+02
      2   0.336398D+01  0.556236D+01  0.142475D+01 -0.725186D+01 -0.468292D+02
      3  -0.125248D+02  0.108884D+02 -0.892017D+01  0.295716D+02 -0.363842D+02
      4  -0.803944D+01  0.354260D+01 -0.862342D+01  0.723225D+01 -0.763223D+01
      5   0.126964D+02  0.210680D+01  0.578639D+01 -0.223081D+02 -0.444516D+02
      6   0.871671D+01 -0.184814D+01  0.690289D+01 -0.628673D+01  0.687523D-01
               236           237           238           239           240 
      1  -0.898711D+00 -0.224680D+02  0.601075D+01  0.586897D+01 -0.151539D+01
      2  -0.301631D+00  0.166332D+02 -0.355125D+01 -0.201258D+01  0.218522D+01
      3   0.120034D+01  0.583482D+01 -0.245950D+01 -0.385640D+01 -0.669829D+00
      4   0.121485D+02  0.215322D+01  0.101273D+02 -0.120331D+01 -0.423144D+01
      5   0.498247D+00  0.254328D+02 -0.381020D+01 -0.522622D+01  0.375621D+01
      6  -0.400672D+01 -0.967983D+00 -0.341853D+01  0.403880D+00  0.269268D+01
               241           242           243 
      1  -0.121009D+02  0.271031D+00  0.869932D+01
      2   0.105257D+02  0.639347D+00 -0.900746D+01
      3   0.157529D+01 -0.910379D+00  0.308142D+00
      4   0.795260D+00 -0.242333D+01  0.495378D+00
      5   0.174951D+02  0.102786D+01 -0.122552D+02
      6  -0.127684D+01  0.215470D+01 -0.155207D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:13:04 2021, MaxMem=  5368709120 cpu:           26648.8 elap:            3339.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25353 -10.38518 -10.32321 -10.31713 -10.30928
 Alpha  occ. eigenvalues --  -10.30302 -10.30208 -10.29803 -10.29629 -10.29182
 Alpha  occ. eigenvalues --  -10.28954  -1.14258  -0.97821  -0.90717  -0.85526
 Alpha  occ. eigenvalues --   -0.83694  -0.79498  -0.78012  -0.71883  -0.69694
 Alpha  occ. eigenvalues --   -0.63637  -0.61392  -0.58051  -0.56932  -0.55096
 Alpha  occ. eigenvalues --   -0.54115  -0.53188  -0.52593  -0.50996  -0.49499
 Alpha  occ. eigenvalues --   -0.48283  -0.47901  -0.46856  -0.45407  -0.45001
 Alpha  occ. eigenvalues --   -0.44498  -0.43352  -0.40561  -0.39399  -0.38408
 Alpha  occ. eigenvalues --   -0.34261  -0.33190
 Alpha virt. eigenvalues --    0.01168   0.03148   0.03831   0.04243   0.04482
 Alpha virt. eigenvalues --    0.05654   0.05933   0.06177   0.06340   0.06617
 Alpha virt. eigenvalues --    0.07692   0.08142   0.08764   0.09129   0.09393
 Alpha virt. eigenvalues --    0.10277   0.10379   0.11158   0.11324   0.12421
 Alpha virt. eigenvalues --    0.12607   0.13075   0.13773   0.13987   0.14188
 Alpha virt. eigenvalues --    0.14998   0.15119   0.15420   0.15550   0.15749
 Alpha virt. eigenvalues --    0.16264   0.16582   0.16992   0.17367   0.17536
 Alpha virt. eigenvalues --    0.18026   0.18036   0.18721   0.18863   0.19198
 Alpha virt. eigenvalues --    0.19699   0.19786   0.20072   0.20878   0.21397
 Alpha virt. eigenvalues --    0.21625   0.21859   0.22109   0.22586   0.23334
 Alpha virt. eigenvalues --    0.23670   0.23896   0.24371   0.25615   0.26039
 Alpha virt. eigenvalues --    0.26108   0.27352   0.28110   0.28283   0.28590
 Alpha virt. eigenvalues --    0.29068   0.29724   0.30319   0.30781   0.31206
 Alpha virt. eigenvalues --    0.32059   0.32228   0.32551   0.33353   0.33985
 Alpha virt. eigenvalues --    0.34334   0.35396   0.35702   0.36095   0.36202
 Alpha virt. eigenvalues --    0.37021   0.37210   0.37507   0.38642   0.38809
 Alpha virt. eigenvalues --    0.39462   0.39642   0.40310   0.40667   0.41196
 Alpha virt. eigenvalues --    0.41285   0.42635   0.42864   0.43363   0.43511
 Alpha virt. eigenvalues --    0.43718   0.44579   0.44640   0.45271   0.45488
 Alpha virt. eigenvalues --    0.46248   0.46680   0.47440   0.47705   0.48698
 Alpha virt. eigenvalues --    0.49424   0.50010   0.50567   0.50726   0.51231
 Alpha virt. eigenvalues --    0.52159   0.52882   0.53271   0.53767   0.54160
 Alpha virt. eigenvalues --    0.54972   0.55198   0.55677   0.56354   0.56889
 Alpha virt. eigenvalues --    0.57859   0.58441   0.58672   0.59554   0.60328
 Alpha virt. eigenvalues --    0.60863   0.61336   0.61441   0.61613   0.62155
 Alpha virt. eigenvalues --    0.62785   0.62947   0.63692   0.64111   0.64595
 Alpha virt. eigenvalues --    0.64992   0.65171   0.66246   0.66503   0.67395
 Alpha virt. eigenvalues --    0.68147   0.69005   0.69208   0.69427   0.70211
 Alpha virt. eigenvalues --    0.70778   0.71855   0.72416   0.72514   0.72910
 Alpha virt. eigenvalues --    0.73271   0.73674   0.74613   0.75426   0.75706
 Alpha virt. eigenvalues --    0.76175   0.76250   0.77054   0.77552   0.78251
 Alpha virt. eigenvalues --    0.78779   0.78978   0.79352   0.80625   0.81032
 Alpha virt. eigenvalues --    0.81622   0.82540   0.83089   0.84122   0.84379
 Alpha virt. eigenvalues --    0.84826   0.86332   0.87051   0.87205   0.87397
 Alpha virt. eigenvalues --    0.88039   0.88951   0.89262   0.90426   0.91265
 Alpha virt. eigenvalues --    0.91837   0.93340   0.93457   0.94423   0.95730
 Alpha virt. eigenvalues --    0.96076   0.96936   0.97203   0.98952   0.99808
 Alpha virt. eigenvalues --    1.02206   1.02865   1.03435   1.05413   1.06034
 Alpha virt. eigenvalues --    1.06124   1.06576   1.07791   1.09369   1.10559
 Alpha virt. eigenvalues --    1.12080   1.12224   1.13780   1.14257   1.15442
 Alpha virt. eigenvalues --    1.16640   1.16839   1.19935   1.21220   1.23256
 Alpha virt. eigenvalues --    1.24575   1.25341   1.26275   1.27295   1.27371
 Alpha virt. eigenvalues --    1.29299   1.30176   1.33042   1.33370   1.35200
 Alpha virt. eigenvalues --    1.36543   1.37110   1.39128   1.40496   1.42217
 Alpha virt. eigenvalues --    1.44722   1.45743   1.46983   1.48403   1.49532
 Alpha virt. eigenvalues --    1.50798   1.52735   1.53632   1.54245   1.54846
 Alpha virt. eigenvalues --    1.57303   1.58381   1.58710   1.60340   1.61360
 Alpha virt. eigenvalues --    1.63359   1.64509   1.65179   1.65811   1.67253
 Alpha virt. eigenvalues --    1.67910   1.68555   1.70008   1.71085   1.72366
 Alpha virt. eigenvalues --    1.72724   1.74690   1.75006   1.76335   1.77071
 Alpha virt. eigenvalues --    1.77818   1.78978   1.80099   1.81282   1.81434
 Alpha virt. eigenvalues --    1.81935   1.83695   1.84177   1.85508   1.88382
 Alpha virt. eigenvalues --    1.89209   1.89714   1.90131   1.91363   1.92572
 Alpha virt. eigenvalues --    1.94438   1.95227   1.96246   1.97590   1.99457
 Alpha virt. eigenvalues --    2.00012   2.00266   2.02563   2.04248   2.05640
 Alpha virt. eigenvalues --    2.07453   2.08738   2.09291   2.09683   2.10429
 Alpha virt. eigenvalues --    2.12285   2.12630   2.14125   2.14524   2.16009
 Alpha virt. eigenvalues --    2.17603   2.17944   2.18947   2.20168   2.20879
 Alpha virt. eigenvalues --    2.21663   2.23152   2.24914   2.25612   2.26801
 Alpha virt. eigenvalues --    2.28701   2.29349   2.31472   2.32388   2.32966
 Alpha virt. eigenvalues --    2.33957   2.34734   2.35622   2.37151   2.39172
 Alpha virt. eigenvalues --    2.40538   2.42581   2.44266   2.46861   2.47354
 Alpha virt. eigenvalues --    2.48393   2.48507   2.50281   2.50772   2.54381
 Alpha virt. eigenvalues --    2.55126   2.56491   2.58880   2.60480   2.62041
 Alpha virt. eigenvalues --    2.64909   2.65862   2.66817   2.67609   2.69421
 Alpha virt. eigenvalues --    2.70112   2.70952   2.72661   2.74981   2.76225
 Alpha virt. eigenvalues --    2.76652   2.79032   2.83239   2.84848   2.86368
 Alpha virt. eigenvalues --    2.87947   2.92315   2.94260   2.96675   2.99331
 Alpha virt. eigenvalues --    3.04330   3.13417   3.21785   3.26132   3.29340
 Alpha virt. eigenvalues --    3.42620   3.51181   3.52610   3.55276   3.56921
 Alpha virt. eigenvalues --    3.70561   3.77028   3.84598   4.01652   5.14656
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.912778  -0.519873   0.439588  -0.139277  -0.125466   0.018163
     2  C   -0.519873  10.001909  -4.439302   1.821258  -0.302301  -0.154554
     3  C    0.439588  -4.439302  22.292190  -7.791348   0.337295   0.021392
     4  C   -0.139277   1.821258  -7.791348  16.206712  -4.732465  -0.996354
     5  C   -0.125466  -0.302301   0.337295  -4.732465  14.957131  -1.944367
     6  C    0.018163  -0.154554   0.021392  -0.996354  -1.944367   8.199369
     7  O    0.000065  -0.003118  -0.002524  -0.054067  -0.201984   0.459075
     8  C   -0.370573  -0.349225  -0.042007  -0.283642  -0.009764  -0.003178
     9  C   -0.266738  -1.001858   1.334221  -0.638047   0.167174   0.031226
    10  C   -0.244204   1.541188  -3.669462   0.981762  -0.370744  -0.133400
    11  C   -0.020570   0.025236  -0.250164  -0.052462  -0.158510   0.336677
    12  H    0.142986   0.000320  -0.245621   0.060773  -0.024666   0.002307
    13  H   -0.246799   0.215940   0.142334   0.181708   0.053844  -0.000959
    14  H   -0.185418   0.320534  -3.206604   1.006051  -0.143489  -0.029815
    15  H    0.010068  -0.095069  -0.608390   0.155839   0.153195  -0.004256
    16  H    0.027329   0.076344   0.248049   0.322448  -0.052554   0.000811
    17  H   -0.027117  -0.132426   0.200332  -0.053488   0.024546   0.004423
    18  H    0.323644  -0.014221  -0.042674   0.016787   0.015642   0.000842
    19  H    0.186551   0.384305  -0.434647   0.111902  -0.058424  -0.010987
    20  H    0.038045  -0.125982  -0.009021   0.078934   0.002941   0.009984
    21  H    0.043893  -0.038743  -0.023203   0.021673  -0.008906  -0.001109
    22  H   -0.065547   0.688337  -0.153999  -0.018911  -0.006767  -0.003680
    23  H    0.092742  -0.228916   0.119057  -1.459870  -1.326255   0.136620
    24  H    0.031522  -0.028978   0.045726   0.526630  -1.684341   0.055772
    25  H    0.002427  -0.015551   0.036925   0.059241  -0.183799   0.025825
    26  H   -0.003219  -0.008102  -0.001814   0.065631  -0.190308   0.027534
    27  H   -0.002095   0.004171   0.005950  -0.024110   0.299038   0.002333
               7          8          9         10         11         12
     1  C    0.000065  -0.370573  -0.266738  -0.244204  -0.020570   0.142986
     2  C   -0.003118  -0.349225  -1.001858   1.541188   0.025236   0.000320
     3  C   -0.002524  -0.042007   1.334221  -3.669462  -0.250164  -0.245621
     4  C   -0.054067  -0.283642  -0.638047   0.981762  -0.052462   0.060773
     5  C   -0.201984  -0.009764   0.167174  -0.370744  -0.158510  -0.024666
     6  C    0.459075  -0.003178   0.031226  -0.133400   0.336677   0.002307
     7  O    8.445256   0.000773   0.000240   0.001491   0.002379  -0.000032
     8  C    0.000773   5.816371  -0.347440   0.259797   0.006143   0.018118
     9  C    0.000240  -0.347440   7.042807  -0.843211  -0.008526  -0.476324
    10  C    0.001491   0.259797  -0.843211   7.896244  -0.015094   0.231963
    11  C    0.002379   0.006143  -0.008526  -0.015094   4.854244   0.000001
    12  H   -0.000032   0.018118  -0.476324   0.231963   0.000001   2.592546
    13  H    0.000373  -0.013022  -0.360291  -0.192495   0.005782  -0.778169
    14  H   -0.001102   0.031192   0.017371   0.597403   0.027800   0.037289
    15  H   -0.000514  -0.076562   0.214465  -0.091935  -0.004632   0.184497
    16  H    0.000081   0.032373  -0.093648  -0.682768   0.001954  -0.251544
    17  H    0.000002   0.181118   0.021392  -0.061549   0.000278   0.016437
    18  H    0.000503  -0.081741   0.026365  -0.033142  -0.000857  -0.000446
    19  H   -0.001037  -0.061294  -0.184351   0.227777  -0.012688   0.031928
    20  H   -0.000029   0.224350  -0.032274   0.009876   0.001835   0.021496
    21  H    0.000003   0.117485   0.061694   0.017803  -0.000245  -0.041766
    22  H    0.000039  -0.032366  -0.087414  -0.064318  -0.000149  -0.039800
    23  H   -0.009281   0.060425  -0.142335  -0.232833   0.062762   0.040519
    24  H   -0.087975  -0.002634  -0.006214   0.002291  -0.083722   0.001924
    25  H    0.026366  -0.000730   0.006484  -0.023242   0.398643  -0.000434
    26  H    0.030147  -0.000444   0.012332  -0.015020   0.430984  -0.000501
    27  H   -0.037850   0.000248  -0.000567   0.003541  -0.028033   0.000068
              13         14         15         16         17         18
     1  C   -0.246799  -0.185418   0.010068   0.027329  -0.027117   0.323644
     2  C    0.215940   0.320534  -0.095069   0.076344  -0.132426  -0.014221
     3  C    0.142334  -3.206604  -0.608390   0.248049   0.200332  -0.042674
     4  C    0.181708   1.006051   0.155839   0.322448  -0.053488   0.016787
     5  C    0.053844  -0.143489   0.153195  -0.052554   0.024546   0.015642
     6  C   -0.000959  -0.029815  -0.004256   0.000811   0.004423   0.000842
     7  O    0.000373  -0.001102  -0.000514   0.000081   0.000002   0.000503
     8  C   -0.013022   0.031192  -0.076562   0.032373   0.181118  -0.081741
     9  C   -0.360291   0.017371   0.214465  -0.093648   0.021392   0.026365
    10  C   -0.192495   0.597403  -0.091935  -0.682768  -0.061549  -0.033142
    11  C    0.005782   0.027800  -0.004632   0.001954   0.000278  -0.000857
    12  H   -0.778169   0.037289   0.184497  -0.251544   0.016437  -0.000446
    13  H    2.775588  -0.032244  -0.279089   0.191385  -0.021697   0.014191
    14  H   -0.032244   3.516357   0.172598  -0.193124  -0.001934   0.005816
    15  H   -0.279089   0.172598   2.484820  -0.669979   0.005784  -0.002365
    16  H    0.191385  -0.193124  -0.669979   2.536036  -0.003569  -0.000374
    17  H   -0.021697  -0.001934   0.005784  -0.003569   1.814134  -0.354337
    18  H    0.014191   0.005816  -0.002365  -0.000374  -0.354337   1.612818
    19  H   -0.088213  -0.002378   0.007813   0.000863  -0.465585  -0.359305
    20  H   -0.015372  -0.020474   0.000649   0.001468   0.031232  -0.049383
    21  H    0.025881   0.015714  -0.005062   0.010705  -0.046642   0.018738
    22  H    0.017381  -0.048133  -0.003716  -0.008868   0.020872   0.010856
    23  H   -0.088501   0.069578  -0.006475   0.025980  -0.005525  -0.034403
    24  H   -0.011371  -0.115600   0.007584  -0.001588   0.000519  -0.009606
    25  H   -0.000116   0.002718  -0.003498  -0.000395  -0.000032   0.001751
    26  H    0.004067   0.003948  -0.001206  -0.001232   0.004021   0.003292
    27  H    0.000570  -0.000091   0.001715   0.000421  -0.000484  -0.000014
              19         20         21         22         23         24
     1  C    0.186551   0.038045   0.043893  -0.065547   0.092742   0.031522
     2  C    0.384305  -0.125982  -0.038743   0.688337  -0.228916  -0.028978
     3  C   -0.434647  -0.009021  -0.023203  -0.153999   0.119057   0.045726
     4  C    0.111902   0.078934   0.021673  -0.018911  -1.459870   0.526630
     5  C   -0.058424   0.002941  -0.008906  -0.006767  -1.326255  -1.684341
     6  C   -0.010987   0.009984  -0.001109  -0.003680   0.136620   0.055772
     7  O   -0.001037  -0.000029   0.000003   0.000039  -0.009281  -0.087975
     8  C   -0.061294   0.224350   0.117485  -0.032366   0.060425  -0.002634
     9  C   -0.184351  -0.032274   0.061694  -0.087414  -0.142335  -0.006214
    10  C    0.227777   0.009876   0.017803  -0.064318  -0.232833   0.002291
    11  C   -0.012688   0.001835  -0.000245  -0.000149   0.062762  -0.083722
    12  H    0.031928   0.021496  -0.041766  -0.039800   0.040519   0.001924
    13  H   -0.088213  -0.015372   0.025881   0.017381  -0.088501  -0.011371
    14  H   -0.002378  -0.020474   0.015714  -0.048133   0.069578  -0.115600
    15  H    0.007813   0.000649  -0.005062  -0.003716  -0.006475   0.007584
    16  H    0.000863   0.001468   0.010705  -0.008868   0.025980  -0.001588
    17  H   -0.465585   0.031232  -0.046642   0.020872  -0.005525   0.000519
    18  H   -0.359305  -0.049383   0.018738   0.010856  -0.034403  -0.009606
    19  H    1.866217   0.015276   0.014178  -0.033481   0.103565   0.018212
    20  H    0.015276   1.756869  -0.391339  -0.412312   0.018159   0.007253
    21  H    0.014178  -0.391339   1.812253  -0.430090   0.000562  -0.000288
    22  H   -0.033481  -0.412312  -0.430090   1.904575  -0.009392  -0.003243
    23  H    0.103565   0.018159   0.000562  -0.009392   5.026153   0.266783
    24  H    0.018212   0.007253  -0.000288  -0.003243   0.266783   2.967269
    25  H    0.000663  -0.000088  -0.000088   0.000043  -0.077931  -0.021476
    26  H   -0.034693   0.000090  -0.000521   0.000245  -0.062553  -0.022281
    27  H    0.002936   0.000019   0.000076  -0.000047  -0.000368   0.007183
              25         26         27
     1  C    0.002427  -0.003219  -0.002095
     2  C   -0.015551  -0.008102   0.004171
     3  C    0.036925  -0.001814   0.005950
     4  C    0.059241   0.065631  -0.024110
     5  C   -0.183799  -0.190308   0.299038
     6  C    0.025825   0.027534   0.002333
     7  O    0.026366   0.030147  -0.037850
     8  C   -0.000730  -0.000444   0.000248
     9  C    0.006484   0.012332  -0.000567
    10  C   -0.023242  -0.015020   0.003541
    11  C    0.398643   0.430984  -0.028033
    12  H   -0.000434  -0.000501   0.000068
    13  H   -0.000116   0.004067   0.000570
    14  H    0.002718   0.003948  -0.000091
    15  H   -0.003498  -0.001206   0.001715
    16  H   -0.000395  -0.001232   0.000421
    17  H   -0.000032   0.004021  -0.000484
    18  H    0.001751   0.003292  -0.000014
    19  H    0.000663  -0.034693   0.002936
    20  H   -0.000088   0.000090   0.000019
    21  H   -0.000088  -0.000521   0.000076
    22  H    0.000043   0.000245  -0.000047
    23  H   -0.077931  -0.062553  -0.000368
    24  H   -0.021476  -0.022281   0.007183
    25  H    1.139685  -0.100743  -0.286680
    26  H   -0.100743   1.108372  -0.295032
    27  H   -0.286680  -0.295032   1.690374
 Mulliken charges:
               1
     1  C    0.947096
     2  C   -1.621324
     3  C    1.697723
     4  C    0.626691
     5  C    1.514305
     6  C   -0.049693
     7  O   -0.567282
     8  C    0.926229
     9  C    1.553466
    10  C    0.902281
    11  C    0.480934
    12  H   -0.523871
    13  H   -0.500705
    14  H   -0.843964
    15  H   -0.546280
    16  H   -0.516603
    17  H   -0.150704
    18  H   -0.068379
    19  H   -0.225098
    20  H   -0.162200
    21  H   -0.172656
    22  H   -0.220113
    23  H   -1.338267
    24  H   -0.859351
    25  H    0.014029
    26  H    0.047007
    27  H   -0.343273
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.502915
     2  C   -1.621324
     3  C    0.853759
     4  C   -0.711576
     5  C    0.654954
     6  C   -0.049693
     7  O   -0.567282
     8  C    0.371260
     9  C    0.528891
    10  C   -0.160602
    11  C    0.198698
 Electronic spatial extent (au):  <R**2>=           2453.3771
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.7525    Y=              1.2290    Z=              1.7489  Tot=              4.3187
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.0482   YY=            -69.3655   ZZ=            -68.2241
   XY=             -4.8153   XZ=             -8.0467   YZ=             -0.1845
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.5023   YY=              4.1804   ZZ=              5.3218
   XY=             -4.8153   XZ=             -8.0467   YZ=             -0.1845
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             66.6439  YYY=             -0.8798  ZZZ=             -2.1650  XYY=             -1.8358
  XXY=             18.9426  XXZ=             29.3508  XZZ=             -0.3410  YZZ=              0.0194
  YYZ=              0.3221  XYZ=              1.3332
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2749.3786 YYYY=           -459.4843 ZZZZ=           -399.3647 XXXY=            -73.1936
 XXXZ=           -113.8667 YYYX=              1.3478 YYYZ=              5.4786 ZZZX=             -1.0653
 ZZZY=              1.7629 XXYY=           -495.3493 XXZZ=           -488.4559 YYZZ=           -145.0821
 XXYZ=            -22.7251 YYXZ=             -2.7099 ZZXY=              1.2429
 N-N= 6.101749443707D+02 E-N=-2.301569434573D+03  KE= 4.628784579459D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:13:04 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.46430138D+00 4.66287825D-01 6.48282452D-01
 Polarizability= 1.60415177D+02 6.22841270D+00 1.04662517D+02
                 4.05450575D+00 4.09678593D+00 1.07452185D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7850   -2.7844        3.7043    3.7057
 2      2.7850    2.7844       -2.1159   -2.1163      -30.4623  -30.4619
 3     -3.7043   -3.7057       29.1541   29.1529        2.1161    2.1163
 4      2.1159    2.1163        0.0000    0.0000       -3.7071   -3.7057
 5      1.3082    1.3090        3.7072    3.7057       -2.7827   -2.7844
 6     -2.1161   -2.1163        2.7827    2.7844       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        8.3533    8.3533       11.1170   11.1170
 2      6.3490    6.3490       -0.0000    0.0000       11.1170   11.1170
 3      6.3490    6.3490        8.3533    8.3533        0.0000    0.0000
 4      8.3533    8.3533       -6.3490   -6.3490      -91.3857  -91.3857
 5    -11.1170  -11.1170       87.4588   87.4588        6.3490    6.3490
 6      3.9269    3.9269       11.1170   11.1170       -8.3533   -8.3533
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2713    0.0000       11.0924   11.1377      -14.0986  -14.8227
 2    -10.7685  -11.1377        8.9633    8.4653      122.1289  121.8475
 3     14.5081   14.8227     -116.7758 -116.6117       -8.5619   -8.4653
 4     -8.4217   -8.4653       -0.1528    0.0000       14.9075   14.8227
 5     -5.0859   -5.2359      -14.8913  -14.8227       11.1686   11.1377
 6      8.4126    8.4653      -11.3109  -11.1377        0.0642    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3108    0.0000       27.3993   27.6190      -22.1093  -22.4151
 2    -27.2082  -27.6190      -27.2310  -27.9018        4.9894    4.4428
 3     22.7043   22.4151       59.0291   58.9045       28.4007   27.9018
 4     27.8418   27.9018       -0.2158    0.0000       22.5255   22.4151
 5    -63.1081  -63.3474      -22.4835  -22.4151       28.0107   27.6190
 6    -27.8887  -27.9018      -27.3983  -27.6190       -0.2209    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     50.7677   50.6845       34.0576   33.9753      -36.4974  -36.3563
 2     75.0436   75.0672       51.2439   51.6034      -36.0854  -36.3563
 3     74.9770   75.0672       34.0148   33.9753      -21.6425  -21.9285
 4    -17.4550  -17.6281      -23.3117  -24.3827       23.4610   22.4408
 5     14.6321   14.4278       56.9373   55.9408       24.9564   24.3827
 6    -78.4621  -78.3816      -14.3478  -14.4278       18.2267   17.6281
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.8724   -3.3814   -0.0006   -0.0003    0.0004    5.3328
 Low frequencies ---   38.5934   61.4722   73.8002
 Diagonal vibrational polarizability:
       18.0980461      53.8424345      15.2395415
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.5739                61.4698                73.7944
 Red. masses --      4.1603                 2.9417                 3.0486
 Frc consts  --      0.0036                 0.0065                 0.0098
 IR Inten    --      3.3453                 0.4598                 0.9407
 RamAct Fr= 1--      2.4728                 0.5810                 0.6269
  Dep-P Fr= 1--      0.7356                 0.7498                 0.5809
  Dep-U Fr= 1--      0.8477                 0.8570                 0.7349
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0020
 Beta2  Fr= 1--      0.3493                 0.0830                 0.0768
 AlphaG Fr= 1--     -0.0020                 0.0000                 0.0078
 Gamma2 Fr= 1--     -0.1205                 0.1707                 0.2878
 Delta2 Fr= 1--      0.0968                 0.0543                 0.0644
 Raman1 Fr= 1--       9.891                  2.324                  2.508
 ROA1   Fr= 1--      -8.471                 18.122                 29.688
 CID1   Fr= 1--      -0.856                  7.798                 11.839
 Raman2 Fr= 1--       4.192                  0.996                  0.921
 ROA2   Fr= 1--      -3.667                  3.662                  6.392
 CID2   Fr= 1--      -0.875                  3.677                  6.937
 Raman3 Fr= 1--       8.384                  1.992                  1.843
 ROA3   Fr= 1--      -8.471                 18.122                 29.688
 CID3   Fr= 1--      -1.010                  9.098                 16.110
 RC180  Fr= 1--       0.695                  0.714                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.05   0.11     0.08  -0.13  -0.08     0.18  -0.00   0.05
     2   6     0.05   0.01   0.03     0.02  -0.02  -0.00     0.07  -0.01  -0.01
     3   6    -0.01  -0.11   0.01     0.00  -0.09  -0.03    -0.03  -0.02   0.10
     4   6    -0.00  -0.13   0.03     0.01  -0.10  -0.01    -0.02  -0.07   0.12
     5   6    -0.03  -0.01  -0.01    -0.02  -0.06   0.00    -0.01  -0.03   0.07
     6   6    -0.04   0.04  -0.02    -0.01   0.04   0.02    -0.05   0.01  -0.03
     7   8    -0.09   0.28  -0.12    -0.04   0.03   0.06    -0.00  -0.02  -0.07
     8   6     0.06   0.01   0.05     0.15   0.14   0.03    -0.03  -0.01  -0.12
     9   6    -0.01   0.07  -0.07    -0.15   0.01   0.07     0.12  -0.01  -0.05
    10   6    -0.08  -0.05  -0.09    -0.07  -0.05  -0.02    -0.06   0.00   0.08
    11   6     0.02  -0.20   0.09     0.02   0.18  -0.03    -0.16   0.13  -0.10
    12   1    -0.02   0.13  -0.11    -0.17   0.10   0.21     0.12   0.01  -0.21
    13   1     0.00   0.11  -0.07    -0.29  -0.03   0.02     0.27  -0.04   0.02
    14   1    -0.02  -0.17   0.03     0.01  -0.11  -0.02    -0.06   0.01   0.09
    15   1    -0.13  -0.07  -0.13    -0.12  -0.06  -0.11    -0.08  -0.05   0.21
    16   1    -0.12  -0.06  -0.12     0.00  -0.07   0.03    -0.19   0.10   0.02
    17   1     0.17   0.14   0.11     0.08  -0.06  -0.04     0.25   0.02  -0.03
    18   1     0.17  -0.01   0.18     0.21  -0.16  -0.16     0.15  -0.02   0.11
    19   1     0.13   0.05   0.10    -0.03  -0.25  -0.11     0.25  -0.00   0.12
    20   1     0.10  -0.05   0.11     0.29   0.12  -0.04    -0.09  -0.00  -0.08
    21   1     0.10   0.10   0.05     0.16   0.22   0.06     0.03  -0.01  -0.22
    22   1     0.00  -0.02  -0.01     0.12   0.22   0.08    -0.12  -0.00  -0.16
    23   1     0.02  -0.21   0.07     0.02  -0.08  -0.02    -0.03  -0.10   0.14
    24   1    -0.06   0.10  -0.06    -0.05  -0.09   0.01     0.03   0.00   0.06
    25   1     0.12  -0.24   0.29     0.04   0.18  -0.15    -0.22   0.15  -0.19
    26   1    -0.02  -0.40  -0.02     0.02   0.24   0.01    -0.18   0.24  -0.00
    27   1     0.01  -0.15   0.07     0.02   0.22  -0.01    -0.17   0.10  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.6779               151.6878               155.2073
 Red. masses --      1.0329                 2.8305                 3.5188
 Frc consts  --      0.0095                 0.0384                 0.0499
 IR Inten    --      0.0320                 2.8155                 1.1385
 RamAct Fr= 1--      0.0668                 0.4063                 0.8862
  Dep-P Fr= 1--      0.6328                 0.6689                 0.6015
  Dep-U Fr= 1--      0.7751                 0.8016                 0.7512
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0024
 Beta2  Fr= 1--      0.0086                 0.0543                 0.1109
 AlphaG Fr= 1--     -0.0007                 0.0063                -0.0439
 Gamma2 Fr= 1--     -0.0298                -0.8044                 0.3211
 Delta2 Fr= 1--     -0.0128                 0.0809                 0.1096
 Raman1 Fr= 1--       0.267                  1.625                  3.545
 ROA1   Fr= 1--      -3.275                -74.638                 34.335
 CID1   Fr= 1--     -12.260                -45.928                  9.686
 Raman2 Fr= 1--       0.104                  0.651                  1.331
 ROA2   Fr= 1--      -0.614                -19.953                  6.831
 CID2   Fr= 1--      -5.927                -30.635                  5.131
 Raman3 Fr= 1--       0.207                  1.303                  2.663
 ROA3   Fr= 1--      -3.275                -74.638                 34.335
 CID3   Fr= 1--     -15.817                -57.297                 12.895
 RC180  Fr= 1--       0.550                  0.603                  0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.05   0.05     0.08  -0.04   0.04
     2   6     0.00   0.00  -0.00     0.01   0.01   0.00     0.01  -0.03   0.02
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.01  -0.06   0.01
     4   6    -0.00   0.01   0.00    -0.02  -0.12  -0.10    -0.00   0.01   0.02
     5   6     0.00   0.00   0.01    -0.04   0.01  -0.17    -0.08   0.36  -0.12
     6   6    -0.00   0.01  -0.00     0.01   0.00  -0.05    -0.03   0.08  -0.02
     7   8     0.01  -0.03   0.01    -0.07  -0.02   0.09     0.03  -0.16   0.05
     8   6    -0.00   0.01  -0.01    -0.01  -0.05   0.01     0.04  -0.00   0.03
     9   6     0.00   0.00  -0.00     0.04  -0.00   0.00    -0.02  -0.01  -0.01
    10   6     0.00   0.00  -0.00    -0.13   0.05   0.15     0.02  -0.06  -0.06
    11   6    -0.01   0.01  -0.01     0.19   0.05  -0.03    -0.06  -0.02   0.01
    12   1     0.00   0.00   0.00     0.04   0.02  -0.16    -0.02   0.00   0.04
    13   1    -0.00   0.00  -0.00     0.20  -0.07   0.09    -0.07   0.02  -0.03
    14   1    -0.01  -0.00   0.00     0.12   0.09  -0.04    -0.03  -0.09   0.02
    15   1     0.01   0.00  -0.00    -0.23  -0.08   0.35     0.04  -0.02  -0.13
    16   1     0.00  -0.00  -0.00    -0.23   0.29   0.15     0.05  -0.14  -0.07
    17   1     0.01  -0.00  -0.00     0.00   0.05   0.04     0.11   0.04   0.05
    18   1     0.01  -0.00  -0.01    -0.04   0.05   0.09     0.14  -0.09   0.06
    19   1     0.00  -0.01  -0.00     0.03   0.10   0.05     0.05  -0.08   0.04
    20   1    -0.00   0.01  -0.01    -0.04  -0.05   0.04     0.08  -0.04   0.05
    21   1     0.00   0.01  -0.01    -0.02  -0.06   0.01     0.05   0.05   0.03
    22   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.01     0.00  -0.01   0.01
    23   1    -0.00   0.03  -0.00    -0.05  -0.27  -0.04     0.07  -0.29   0.16
    24   1     0.01  -0.02   0.02    -0.09   0.12  -0.22    -0.13   0.64  -0.24
    25   1     0.52  -0.15   0.20     0.28   0.03  -0.07    -0.12  -0.01   0.10
    26   1    -0.44  -0.40   0.04     0.20   0.01  -0.07    -0.02  -0.05  -0.04
    27   1    -0.10   0.50  -0.22     0.20   0.15   0.06    -0.05  -0.13   0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.0849               242.2429               268.9996
 Red. masses --      1.2364                 1.9348                 1.4194
 Frc consts  --      0.0350                 0.0669                 0.0605
 IR Inten    --      0.1062                 0.5001                 0.2434
 RamAct Fr= 1--      0.1977                 1.0484                 1.9233
  Dep-P Fr= 1--      0.3396                 0.3071                 0.2352
  Dep-U Fr= 1--      0.5070                 0.4699                 0.3808
 Alpha2 Fr= 1--      0.0018                 0.0105                 0.0238
 Beta2  Fr= 1--      0.0167                 0.0821                 0.1221
 AlphaG Fr= 1--      0.0033                -0.0041                 0.0356
 Gamma2 Fr= 1--      0.3854                -0.0092                 0.4983
 Delta2 Fr= 1--     -0.0756                 0.2170                -0.0141
 Raman1 Fr= 1--       0.791                  4.194                  7.693
 ROA1   Fr= 1--      34.583                  6.062                 47.380
 CID1   Fr= 1--      43.722                  1.446                  6.159
 Raman2 Fr= 1--       0.201                  0.985                  1.465
 ROA2   Fr= 1--       9.856                 -1.957                 12.071
 CID2   Fr= 1--      49.150                 -1.986                  8.242
 Raman3 Fr= 1--       0.401                  1.971                  2.929
 ROA3   Fr= 1--      34.583                  6.062                 47.380
 CID3   Fr= 1--      86.232                  3.077                 16.174
 RC180  Fr= 1--       0.014                 -0.060                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.00   0.05    -0.06   0.03  -0.08     0.04  -0.01   0.01
     2   6    -0.02  -0.01   0.01     0.04  -0.00  -0.06     0.00  -0.01  -0.00
     3   6    -0.01   0.02   0.00     0.03   0.01  -0.05     0.00   0.03  -0.01
     4   6    -0.02   0.04  -0.03     0.02  -0.02  -0.01    -0.04   0.07  -0.07
     5   6    -0.00  -0.01  -0.02    -0.02   0.01   0.04    -0.04  -0.02  -0.03
     6   6     0.00  -0.00  -0.01    -0.04   0.01   0.04    -0.04  -0.00  -0.01
     7   8    -0.01   0.00   0.00    -0.02   0.00   0.01    -0.07  -0.00   0.02
     8   6    -0.06   0.00  -0.04     0.14  -0.06   0.08     0.03   0.01   0.01
     9   6    -0.02  -0.02   0.03     0.08  -0.01  -0.06     0.04  -0.04   0.02
    10   6     0.03  -0.01   0.01    -0.03   0.03   0.04     0.06  -0.00   0.03
    11   6     0.03  -0.01  -0.01    -0.12  -0.01   0.03    -0.02  -0.02   0.00
    12   1    -0.02  -0.04   0.08     0.08  -0.02  -0.20     0.05  -0.08   0.01
    13   1    -0.06  -0.03   0.01     0.21  -0.03   0.00     0.06  -0.04   0.02
    14   1     0.00   0.02   0.00     0.03   0.07  -0.07     0.04   0.05  -0.01
    15   1     0.05   0.02  -0.01    -0.08  -0.04   0.16     0.10   0.02   0.05
    16   1     0.06  -0.04   0.02    -0.10   0.18   0.03     0.07  -0.00   0.04
    17   1     0.06   0.44   0.33    -0.16   0.24   0.20     0.06   0.05   0.03
    18   1     0.52  -0.28   0.10     0.22  -0.10  -0.12     0.10  -0.06   0.03
    19   1    -0.27  -0.14  -0.21    -0.33  -0.02  -0.33     0.01  -0.03  -0.01
    20   1    -0.15   0.12  -0.17     0.19  -0.03   0.00     0.23  -0.31   0.39
    21   1    -0.11  -0.18  -0.07     0.01  -0.11   0.24     0.25   0.51  -0.02
    22   1     0.04   0.06   0.06     0.32  -0.07   0.16    -0.34  -0.13  -0.30
    23   1    -0.04   0.10  -0.06     0.06  -0.03  -0.00    -0.07   0.17  -0.12
    24   1     0.01  -0.06   0.01    -0.07   0.02   0.03    -0.03  -0.12   0.02
    25   1     0.03  -0.01  -0.01    -0.15   0.00   0.06    -0.03  -0.02   0.01
    26   1     0.05  -0.01  -0.02    -0.15   0.00   0.06    -0.01  -0.02  -0.02
    27   1     0.04  -0.01   0.02    -0.13  -0.04  -0.03    -0.02  -0.03   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    279.5889               332.3794               354.3342
 Red. masses --      1.9065                 2.3038                 2.2643
 Frc consts  --      0.0878                 0.1500                 0.1675
 IR Inten    --      0.5660                 0.0630                 0.1121
 RamAct Fr= 1--      3.4761                 0.8548                 1.7969
  Dep-P Fr= 1--      0.2065                 0.5798                 0.6906
  Dep-U Fr= 1--      0.3424                 0.7340                 0.8170
 Alpha2 Fr= 1--      0.0464                 0.0027                 0.0019
 Beta2  Fr= 1--      0.1984                 0.1046                 0.2447
 AlphaG Fr= 1--      0.0237                 0.0057                -0.0026
 Gamma2 Fr= 1--      0.6279                -1.1001                -1.3933
 Delta2 Fr= 1--      0.0272                -0.1257                -0.6826
 Raman1 Fr= 1--      13.904                  3.419                  7.188
 ROA1   Fr= 1--      61.152               -109.633               -155.604
 CID1   Fr= 1--       4.398                -32.065                -21.649
 Raman2 Fr= 1--       2.380                  1.255                  2.936
 ROA2   Fr= 1--      14.852                -25.397                -27.979
 CID2   Fr= 1--       6.240                -20.239                 -9.529
 Raman3 Fr= 1--       4.760                  2.510                  5.872
 ROA3   Fr= 1--      61.152               -109.633               -155.604
 CID3   Fr= 1--      12.846                -43.685                -26.499
 RC180  Fr= 1--      -0.315                  0.468                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03    -0.11  -0.06  -0.02     0.11  -0.14  -0.04
     2   6    -0.04  -0.00  -0.03    -0.03   0.01   0.08    -0.03   0.00   0.02
     3   6    -0.02  -0.01  -0.00    -0.05  -0.03   0.11    -0.05   0.01   0.02
     4   6     0.05  -0.03   0.09    -0.05  -0.01   0.09    -0.05   0.16  -0.01
     5   6     0.06   0.03   0.05    -0.01   0.00  -0.01     0.00   0.03   0.02
     6   6     0.08   0.01   0.01    -0.02  -0.02  -0.04     0.01   0.03  -0.03
     7   8     0.12   0.01  -0.04    -0.04  -0.02  -0.01     0.03  -0.02  -0.02
     8   6    -0.05  -0.05  -0.01    -0.00   0.14   0.02    -0.00  -0.08   0.11
     9   6    -0.08   0.01  -0.02     0.14   0.01  -0.07    -0.01   0.05  -0.06
    10   6    -0.10   0.02   0.00     0.03  -0.05  -0.05    -0.11   0.03  -0.01
    11   6     0.05   0.02   0.00     0.10   0.00  -0.04     0.06  -0.01  -0.00
    12   1    -0.08   0.05  -0.03     0.17  -0.11  -0.31    -0.01   0.05  -0.19
    13   1    -0.07  -0.02  -0.01     0.36   0.19  -0.03     0.10   0.09  -0.02
    14   1    -0.09  -0.00  -0.00    -0.08  -0.10   0.14    -0.06  -0.03   0.04
    15   1    -0.16  -0.03   0.03     0.10  -0.01  -0.04    -0.17  -0.04   0.08
    16   1    -0.12   0.08   0.01    -0.07  -0.13  -0.15    -0.19   0.14  -0.03
    17   1    -0.10   0.19   0.15    -0.22  -0.04   0.13     0.21  -0.19  -0.21
    18   1     0.18  -0.12  -0.05     0.04  -0.06  -0.18     0.13  -0.09  -0.14
    19   1    -0.26  -0.07  -0.19    -0.29  -0.15  -0.16     0.15  -0.31   0.12
    20   1     0.04  -0.30   0.33     0.10   0.14  -0.05    -0.03  -0.07   0.10
    21   1     0.13   0.32  -0.07     0.05   0.21  -0.01    -0.12  -0.16   0.24
    22   1    -0.34  -0.20  -0.30    -0.09   0.25   0.08     0.17  -0.15   0.13
    23   1     0.09  -0.10   0.12    -0.10  -0.03   0.09    -0.08   0.38  -0.10
    24   1     0.08   0.11   0.02     0.07   0.03  -0.01     0.09  -0.17   0.10
    25   1     0.05   0.02  -0.01     0.14  -0.01  -0.08     0.06  -0.01   0.03
    26   1     0.03   0.03   0.02     0.15  -0.01  -0.09     0.11  -0.04  -0.07
    27   1     0.05   0.03  -0.01     0.12   0.04   0.07     0.08  -0.02   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    371.0679               402.3419               446.9861
 Red. masses --      2.2837                 2.5137                 2.3439
 Frc consts  --      0.1853                 0.2397                 0.2759
 IR Inten    --      0.4749                 0.0742                 0.1198
 RamAct Fr= 1--      1.3298                 0.4844                 1.3488
  Dep-P Fr= 1--      0.1684                 0.6191                 0.5123
  Dep-U Fr= 1--      0.2883                 0.7648                 0.6775
 Alpha2 Fr= 1--      0.0196                 0.0012                 0.0063
 Beta2  Fr= 1--      0.0639                 0.0617                 0.1523
 AlphaG Fr= 1--     -0.0037                -0.0094                -0.0322
 Gamma2 Fr= 1--     -0.3135                 0.7540                 0.5673
 Delta2 Fr= 1--      0.1040                 0.1613                 0.6187
 Raman1 Fr= 1--       5.319                  1.938                  5.395
 ROA1   Fr= 1--     -26.770                 77.548                 74.262
 CID1   Fr= 1--      -5.033                 40.024                 13.765
 Raman2 Fr= 1--       0.767                  0.741                  1.828
 ROA2   Fr= 1--      -8.357                 16.806                  8.666
 CID2   Fr= 1--     -10.901                 22.683                  4.742
 Raman3 Fr= 1--       1.533                  1.482                  3.655
 ROA3   Fr= 1--     -26.770                 77.548                 74.262
 CID3   Fr= 1--     -17.459                 52.334                 20.316
 RC180  Fr= 1--      -0.423                  0.530                  0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.04  -0.11     0.03   0.09   0.00    -0.04   0.06  -0.05
     2   6     0.04   0.09   0.02    -0.03  -0.04  -0.13     0.17   0.00   0.02
     3   6     0.02   0.08   0.04    -0.10   0.08   0.01     0.04  -0.10   0.09
     4   6    -0.00  -0.10   0.06    -0.06   0.04   0.15    -0.01   0.07   0.04
     5   6    -0.01  -0.03  -0.01    -0.02   0.02   0.07    -0.01   0.04   0.02
     6   6    -0.04  -0.06  -0.01    -0.05  -0.05  -0.03    -0.06   0.07  -0.06
     7   8    -0.09   0.01   0.02    -0.05  -0.02  -0.05    -0.06  -0.05   0.01
     8   6    -0.06  -0.11   0.05     0.12  -0.04   0.01     0.07  -0.08  -0.10
     9   6     0.02   0.11   0.04    -0.05  -0.10  -0.02    -0.01   0.07   0.06
    10   6     0.09   0.08  -0.03     0.02   0.00   0.01    -0.05  -0.05   0.02
    11   6     0.01   0.01  -0.03     0.11   0.01  -0.05     0.03  -0.02  -0.02
    12   1     0.01   0.14   0.16    -0.06  -0.10   0.11    -0.05   0.29   0.19
    13   1    -0.10   0.11  -0.01    -0.15  -0.22  -0.04    -0.16  -0.05   0.02
    14   1     0.01   0.10   0.04    -0.25   0.18  -0.01     0.02  -0.14   0.11
    15   1     0.20   0.20  -0.18     0.16   0.11  -0.02    -0.11  -0.06  -0.06
    16   1     0.16  -0.14  -0.06     0.07  -0.13   0.00    -0.04  -0.07   0.02
    17   1     0.03  -0.05  -0.10     0.09   0.17  -0.04    -0.23  -0.06   0.15
    18   1     0.18  -0.01  -0.29    -0.07   0.03   0.21    -0.08   0.14  -0.14
    19   1    -0.07  -0.23  -0.10     0.14   0.24   0.03    -0.13   0.18  -0.22
    20   1    -0.22  -0.15   0.24     0.28  -0.08  -0.05    -0.10  -0.04  -0.03
    21   1    -0.08  -0.15   0.06     0.00   0.01   0.21     0.13  -0.16  -0.24
    22   1     0.00  -0.31  -0.10     0.27  -0.04   0.08     0.01  -0.12  -0.18
    23   1    -0.01  -0.32   0.15    -0.04  -0.03   0.18    -0.07   0.35  -0.09
    24   1    -0.02   0.17  -0.10     0.10   0.11   0.04     0.10  -0.20   0.13
    25   1     0.06  -0.00  -0.12     0.22  -0.02  -0.16     0.03  -0.03   0.08
    26   1    -0.01   0.04  -0.00     0.19   0.01  -0.11     0.13  -0.11  -0.17
    27   1     0.01   0.07  -0.01     0.15   0.12   0.13     0.06  -0.07   0.10
                     16                     17                     18
                      A                      A                      A
 Frequencies --    539.0465               559.2387               589.2759
 Red. masses --      2.8331                 3.8330                 2.6934
 Frc consts  --      0.4850                 0.7063                 0.5511
 IR Inten    --      8.7695                 7.8933                 2.1714
 RamAct Fr= 1--      3.0960                 0.6930                 2.1327
  Dep-P Fr= 1--      0.1292                 0.6793                 0.1250
  Dep-U Fr= 1--      0.2288                 0.8090                 0.2222
 Alpha2 Fr= 1--      0.0504                 0.0009                 0.0351
 Beta2  Fr= 1--      0.1180                 0.0934                 0.0790
 AlphaG Fr= 1--     -0.0202                -0.0058                -0.1460
 Gamma2 Fr= 1--      0.0902                -0.3078                -0.2021
 Delta2 Fr= 1--     -0.0785                 0.0172                 0.0416
 Raman1 Fr= 1--      12.384                  2.772                  8.531
 ROA1   Fr= 1--       6.147                -28.996                -18.074
 CID1   Fr= 1--       0.496                -10.460                 -2.119
 Raman2 Fr= 1--       1.416                  1.121                  0.948
 ROA2   Fr= 1--       2.793                 -7.523                 -5.184
 CID2   Fr= 1--       1.972                 -6.709                 -5.470
 Raman3 Fr= 1--       2.833                  2.243                  1.895
 ROA3   Fr= 1--       6.147                -28.996                -18.074
 CID3   Fr= 1--       2.170                -12.929                 -9.536
 RC180  Fr= 1--      -0.542                  0.618                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.04   0.08  -0.08     0.02   0.04  -0.04
     2   6    -0.01  -0.01  -0.04     0.02   0.06  -0.02    -0.08   0.04  -0.04
     3   6    -0.08   0.03   0.12    -0.11  -0.01   0.08     0.03  -0.02  -0.06
     4   6    -0.07   0.00   0.06    -0.17  -0.10  -0.08     0.08  -0.11   0.05
     5   6     0.09  -0.06  -0.15    -0.14  -0.08  -0.08     0.04  -0.06   0.07
     6   6     0.17   0.06  -0.06    -0.00   0.12   0.05    -0.06   0.24  -0.12
     7   8     0.01   0.07   0.18     0.21  -0.04  -0.12    -0.03  -0.08   0.05
     8   6     0.04  -0.02  -0.01     0.01  -0.01   0.01    -0.08   0.05   0.06
     9   6    -0.01  -0.02  -0.02     0.04   0.00   0.04     0.00  -0.04   0.01
    10   6    -0.02  -0.01  -0.00     0.03  -0.06   0.04     0.04   0.01   0.01
    11   6    -0.05  -0.04  -0.07     0.02   0.08   0.17    -0.01   0.01  -0.04
    12   1    -0.02   0.01   0.02     0.04   0.02   0.03     0.02  -0.15  -0.04
    13   1    -0.06  -0.06  -0.03     0.04  -0.05   0.05     0.06  -0.02   0.03
    14   1    -0.17   0.06   0.11    -0.04   0.04   0.06     0.02   0.00  -0.06
    15   1     0.10   0.09  -0.07     0.21   0.13  -0.12     0.02  -0.00   0.02
    16   1    -0.04  -0.20  -0.07     0.07  -0.35  -0.02     0.06   0.04   0.04
    17   1    -0.00   0.03  -0.01     0.02   0.05  -0.07     0.12   0.12  -0.14
    18   1    -0.01   0.01   0.01     0.04   0.10  -0.13     0.06  -0.01   0.00
    19   1     0.01   0.06  -0.04     0.02   0.07  -0.09     0.06  -0.03   0.04
    20   1     0.10  -0.05  -0.02    -0.02  -0.03   0.07    -0.05   0.02   0.07
    21   1    -0.01   0.01   0.08    -0.05  -0.02   0.09    -0.12   0.07   0.13
    22   1     0.10  -0.04   0.01     0.09  -0.09  -0.02    -0.03   0.01   0.05
    23   1    -0.31   0.02   0.02    -0.34  -0.04  -0.12     0.15  -0.01   0.02
    24   1     0.19  -0.10  -0.12    -0.33  -0.21  -0.03     0.11  -0.22   0.14
    25   1    -0.29   0.01   0.19     0.00   0.08   0.30    -0.08  -0.00   0.44
    26   1    -0.25  -0.06   0.07     0.08  -0.02   0.05     0.17  -0.33  -0.42
    27   1    -0.12  -0.29  -0.49     0.04   0.02   0.26     0.05  -0.26   0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    630.2279               730.0886               803.3491
 Red. masses --      3.1721                 1.4722                 3.3678
 Frc consts  --      0.7423                 0.4624                 1.2806
 IR Inten    --      3.0810                 6.1136                 2.7011
 RamAct Fr= 1--      8.1709                 5.3422                14.7411
  Dep-P Fr= 1--      0.0473                 0.1183                 0.7271
  Dep-U Fr= 1--      0.0903                 0.2116                 0.8420
 Alpha2 Fr= 1--      0.1625                 0.0894                 0.0058
 Beta2  Fr= 1--      0.1229                 0.1884                 2.0687
 AlphaG Fr= 1--      0.2611                 0.2110                 0.0620
 Gamma2 Fr= 1--     -0.4688                 1.3256                 3.1406
 Delta2 Fr= 1--     -0.1734                 0.3788                -1.6989
 Raman1 Fr= 1--      32.684                 21.369                 58.965
 ROA1   Fr= 1--     -50.552                139.376                247.132
 CID1   Fr= 1--      -1.547                  6.522                  4.191
 Raman2 Fr= 1--       1.475                  2.261                 24.824
 ROA2   Fr= 1--      -9.863                 28.783                 88.965
 CID2   Fr= 1--      -6.687                 12.731                  3.584
 Raman3 Fr= 1--       2.950                  4.522                 49.648
 ROA3   Fr= 1--     -50.552                139.376                247.132
 CID3   Fr= 1--     -17.136                 30.824                  4.978
 RC180  Fr= 1--      -0.819                 -0.577                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.17   0.17     0.02   0.04  -0.04    -0.02   0.00  -0.03
     2   6     0.03  -0.10   0.03     0.01   0.01   0.01    -0.07  -0.02  -0.05
     3   6     0.01   0.14   0.03     0.04  -0.05   0.07     0.09  -0.01   0.10
     4   6    -0.02  -0.06   0.00    -0.02  -0.01   0.01     0.09   0.01   0.04
     5   6    -0.02  -0.07  -0.01    -0.00   0.01  -0.03     0.18   0.00  -0.16
     6   6    -0.03   0.10  -0.03    -0.00  -0.01   0.00    -0.05  -0.06  -0.09
     7   8     0.03  -0.04  -0.02    -0.00  -0.00  -0.01    -0.10  -0.05  -0.07
     8   6     0.10  -0.06  -0.08    -0.04   0.03   0.04    -0.01  -0.01  -0.01
     9   6    -0.03   0.06  -0.10     0.01  -0.08  -0.08    -0.04   0.00   0.01
    10   6     0.03   0.19  -0.06     0.06   0.05  -0.05    -0.04   0.03  -0.01
    11   6    -0.00   0.04   0.04    -0.00   0.01   0.03    -0.04   0.09   0.26
    12   1    -0.05   0.11   0.13     0.00  -0.14   0.42    -0.03  -0.02  -0.19
    13   1    -0.22   0.08  -0.18    -0.41  -0.06  -0.26     0.14  -0.04   0.09
    14   1     0.01   0.21   0.01     0.04  -0.18   0.12     0.04  -0.02   0.11
    15   1     0.10   0.20   0.06    -0.04  -0.16   0.39    -0.06   0.08  -0.22
    16   1    -0.05   0.19  -0.12    -0.23   0.41  -0.15     0.07  -0.14   0.02
    17   1    -0.14  -0.20   0.24    -0.01  -0.00  -0.02     0.09   0.13  -0.09
    18   1    -0.11  -0.17   0.20     0.02   0.07  -0.10    -0.01  -0.09   0.13
    19   1    -0.09  -0.10   0.11    -0.00   0.04  -0.06     0.06   0.03   0.03
    20   1     0.18  -0.04  -0.18    -0.04   0.02   0.05     0.10  -0.04  -0.05
    21   1     0.18  -0.03  -0.17    -0.05   0.04   0.06    -0.06   0.06   0.09
    22   1    -0.00   0.07  -0.02    -0.03   0.03   0.05     0.03   0.01   0.02
    23   1    -0.10  -0.14   0.03    -0.10   0.03  -0.01    -0.08   0.11  -0.03
    24   1    -0.07  -0.06  -0.02     0.01  -0.04  -0.01     0.44  -0.09  -0.11
    25   1    -0.03   0.03   0.26     0.00   0.01  -0.01    -0.05   0.10   0.20
    26   1     0.07  -0.12  -0.13    -0.01   0.04   0.06    -0.07   0.14   0.32
    27   1     0.02  -0.08   0.13    -0.01   0.03   0.02    -0.04   0.16   0.30
                     22                     23                     24
                      A                      A                      A
 Frequencies --    843.1803               869.8129               893.1449
 Red. masses --      2.3417                 2.0686                 1.8118
 Frc consts  --      0.9809                 0.9221                 0.8515
 IR Inten    --      2.4536                 0.1970                 0.1808
 RamAct Fr= 1--     12.3462                 9.2840                 7.3136
  Dep-P Fr= 1--      0.3542                 0.6016                 0.1106
  Dep-U Fr= 1--      0.5231                 0.7513                 0.1991
 Alpha2 Fr= 1--      0.1069                 0.0255                 0.1248
 Beta2  Fr= 1--      1.0764                 1.1625                 0.2427
 AlphaG Fr= 1--      0.8425                 0.0857                -0.1453
 Gamma2 Fr= 1--      4.6396                 0.4399                -2.5364
 Delta2 Fr= 1--      0.5910                -0.4830                -1.2313
 Raman1 Fr= 1--      49.385                 37.136                 29.255
 ROA1   Fr= 1--     464.314                 26.770               -282.899
 CID1   Fr= 1--       9.402                  0.721                 -9.670
 Raman2 Fr= 1--      12.917                 13.950                  2.913
 ROA2   Fr= 1--     106.623                 14.421                -51.024
 CID2   Fr= 1--       8.255                  1.034                -17.516
 Raman3 Fr= 1--      25.833                 27.899                  5.826
 ROA3   Fr= 1--     464.314                 26.770               -282.899
 CID3   Fr= 1--      17.974                  0.960                -48.559
 RC180  Fr= 1--       0.046                  0.503                 -0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.02    -0.05  -0.02  -0.01     0.02   0.02   0.01
     2   6    -0.11  -0.01  -0.08    -0.10   0.02  -0.05     0.02   0.05   0.06
     3   6     0.08  -0.10   0.11    -0.02  -0.05  -0.04    -0.03  -0.07  -0.07
     4   6     0.01  -0.11   0.00    -0.06   0.05   0.03    -0.07  -0.00   0.07
     5   6    -0.08   0.11  -0.00     0.00  -0.06   0.00    -0.02  -0.00  -0.02
     6   6     0.00   0.00   0.06     0.01  -0.00  -0.02     0.02  -0.01  -0.02
     7   8     0.03   0.02   0.02     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     8   6    -0.00  -0.02  -0.05     0.04  -0.04  -0.08     0.08  -0.01  -0.01
     9   6    -0.01   0.05   0.02     0.09   0.14   0.13    -0.09  -0.07   0.04
    10   6     0.03   0.14   0.01     0.07  -0.07  -0.03     0.06   0.12  -0.05
    11   6     0.01  -0.07  -0.07     0.01   0.03   0.02     0.02   0.01   0.03
    12   1     0.01  -0.03  -0.07     0.10   0.05   0.21    -0.03  -0.38  -0.29
    13   1     0.09   0.04   0.07    -0.02   0.35   0.04     0.29   0.05   0.17
    14   1     0.13  -0.18   0.13    -0.11  -0.18   0.00    -0.15  -0.31   0.00
    15   1     0.03   0.18  -0.13    -0.20  -0.32   0.20    -0.07   0.03  -0.03
    16   1     0.11  -0.00   0.01    -0.07   0.35   0.00     0.28   0.32   0.18
    17   1     0.12   0.18  -0.13     0.13   0.20  -0.14    -0.04  -0.08   0.03
    18   1    -0.02  -0.16   0.21    -0.01  -0.17   0.21     0.02   0.09  -0.12
    19   1     0.06   0.00   0.08     0.06  -0.04   0.13    -0.03  -0.04  -0.00
    20   1     0.18  -0.09  -0.09     0.15  -0.10  -0.06    -0.19   0.07   0.07
    21   1    -0.08   0.09   0.13    -0.04   0.02   0.08     0.13  -0.18  -0.20
    22   1     0.09  -0.02  -0.00     0.16  -0.09  -0.08     0.00  -0.09  -0.13
    23   1    -0.07   0.32  -0.18    -0.05  -0.17   0.12    -0.10   0.03   0.05
    24   1    -0.13  -0.42   0.22     0.02   0.18  -0.10     0.07  -0.04  -0.00
    25   1     0.07  -0.07  -0.31    -0.05   0.03   0.13    -0.06   0.03   0.06
    26   1     0.02   0.07   0.02    -0.02  -0.03  -0.00    -0.06   0.03   0.10
    27   1    -0.00   0.07  -0.08     0.00  -0.05  -0.03    -0.00  -0.03  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    905.8905               946.6624               956.6373
 Red. masses --      2.0860                 2.2203                 1.5327
 Frc consts  --      1.0086                 1.1723                 0.8264
 IR Inten    --      6.0651                 1.6034                 0.4220
 RamAct Fr= 1--     23.1691                13.6761                 4.5505
  Dep-P Fr= 1--      0.2528                 0.7471                 0.4834
  Dep-U Fr= 1--      0.4036                 0.8553                 0.6517
 Alpha2 Fr= 1--      0.2725                 0.0007                 0.0242
 Beta2  Fr= 1--      1.5583                 1.9494                 0.4943
 AlphaG Fr= 1--     -0.7862                 0.0005                -0.0299
 Gamma2 Fr= 1--     -3.5160                 2.3505                 0.5314
 Delta2 Fr= 1--      0.7612                 1.4302                -0.3646
 Raman1 Fr= 1--      92.676                 54.705                 18.202
 ROA1   Fr= 1--    -313.176                271.413                 39.348
 CID1   Fr= 1--      -3.379                  4.961                  2.162
 Raman2 Fr= 1--      18.700                 23.393                  5.931
 ROA2   Fr= 1--     -90.474                 44.970                 15.670
 CID2   Fr= 1--      -4.838                  1.922                  2.642
 Raman3 Fr= 1--      37.400                 46.786                 11.862
 ROA3   Fr= 1--    -313.176                271.413                 39.348
 CID3   Fr= 1--      -8.374                  5.801                  3.317
 RC180  Fr= 1--      -0.193                  0.711                  0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.05     0.03  -0.01  -0.02    -0.03   0.11  -0.01
     2   6    -0.04  -0.02   0.02     0.01  -0.07  -0.04    -0.06  -0.00   0.07
     3   6     0.10  -0.01   0.15    -0.01  -0.13  -0.01    -0.01   0.01   0.01
     4   6    -0.00   0.12  -0.09    -0.03   0.05  -0.00     0.01  -0.01  -0.01
     5   6     0.01  -0.11   0.06    -0.00  -0.04   0.02     0.01   0.01  -0.00
     6   6    -0.02   0.01   0.04     0.01  -0.01  -0.01    -0.00   0.00  -0.00
     7   8     0.02   0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   6     0.01  -0.03  -0.02    -0.07   0.00   0.03     0.06  -0.10  -0.01
     9   6    -0.05  -0.06   0.02    -0.08   0.10  -0.13    -0.05   0.02  -0.05
    10   6    -0.05   0.07  -0.05     0.12   0.02   0.14     0.02  -0.04   0.05
    11   6    -0.02   0.01  -0.06     0.02   0.02   0.01    -0.00  -0.00   0.00
    12   1    -0.02  -0.19  -0.14    -0.14   0.45  -0.27    -0.05   0.00  -0.05
    13   1     0.13  -0.08   0.10    -0.02  -0.02  -0.08    -0.05   0.15  -0.08
    14   1     0.20  -0.19   0.20    -0.03  -0.21   0.02     0.05   0.06  -0.00
    15   1    -0.13   0.06  -0.23     0.22   0.07   0.18     0.12  -0.01   0.14
    16   1     0.02  -0.04  -0.04     0.34   0.07   0.32    -0.03  -0.05   0.01
    17   1     0.04   0.08  -0.07    -0.07  -0.04   0.10     0.18   0.09  -0.33
    18   1     0.02   0.02  -0.01    -0.06   0.01   0.02     0.23   0.12  -0.28
    19   1     0.03   0.05  -0.03     0.02   0.15  -0.15    -0.07  -0.36   0.25
    20   1     0.10  -0.04  -0.07     0.10  -0.02  -0.06     0.19  -0.00  -0.27
    21   1     0.01   0.03   0.01    -0.09   0.11   0.11     0.26  -0.01  -0.27
    22   1     0.01   0.03   0.03    -0.08   0.11   0.13    -0.23   0.21   0.15
    23   1    -0.01  -0.32   0.10     0.01  -0.07   0.06     0.03  -0.01  -0.00
    24   1    -0.24   0.51  -0.22    -0.00   0.21  -0.09     0.03  -0.07   0.03
    25   1     0.05  -0.02   0.07    -0.05   0.03   0.10     0.01  -0.01  -0.02
    26   1     0.09  -0.13  -0.25    -0.03  -0.02   0.01     0.01   0.01   0.00
    27   1     0.02  -0.05   0.10     0.01  -0.05  -0.06    -0.00   0.01   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    975.8792               986.2528              1015.0798
 Red. masses --      1.8440                 1.6079                 1.5076
 Frc consts  --      1.0347                 0.9215                 0.9152
 IR Inten    --      6.2109                 7.4693                15.8205
 RamAct Fr= 1--      8.3990                25.8388                22.6636
  Dep-P Fr= 1--      0.5065                 0.1435                 0.3715
  Dep-U Fr= 1--      0.6724                 0.2510                 0.5418
 Alpha2 Fr= 1--      0.0402                 0.4061                 0.1853
 Beta2  Fr= 1--      0.9413                 1.0808                 2.0464
 AlphaG Fr= 1--      0.0265                 0.0072                -0.0834
 Gamma2 Fr= 1--     -3.7912                 1.6073                -1.7086
 Delta2 Fr= 1--     -4.0682                 0.5821                -0.7321
 Raman1 Fr= 1--      33.596                103.355                 90.654
 ROA1   Fr= 1--    -494.137                172.929               -187.454
 CID1   Fr= 1--     -14.708                  1.673                 -2.068
 Raman2 Fr= 1--      11.295                 12.969                 24.557
 ROA2   Fr= 1--     -58.443                 33.918                -35.150
 CID2   Fr= 1--      -5.174                  2.615                 -1.431
 Raman3 Fr= 1--      22.590                 25.938                 49.114
 ROA3   Fr= 1--    -494.137                172.929               -187.454
 CID3   Fr= 1--     -21.874                  6.667                 -3.817
 RC180  Fr= 1--       0.345                 -0.498                  0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.11    -0.00  -0.03  -0.04     0.03   0.01   0.04
     2   6    -0.04   0.14  -0.01    -0.02   0.01   0.02     0.01  -0.00  -0.01
     3   6    -0.06  -0.08   0.02     0.02   0.05   0.06    -0.03   0.01  -0.04
     4   6     0.05   0.02  -0.05     0.02  -0.01  -0.01    -0.01   0.00   0.03
     5   6     0.03  -0.01   0.02     0.03   0.00  -0.03     0.07  -0.01  -0.08
     6   6     0.00  -0.01  -0.01    -0.02   0.01   0.03    -0.01   0.02   0.04
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.02     0.04   0.03   0.04
     8   6     0.04   0.04  -0.11     0.06   0.05  -0.01    -0.04  -0.02  -0.01
     9   6    -0.00  -0.03  -0.06    -0.12   0.01  -0.05     0.02   0.01   0.03
    10   6    -0.00   0.01   0.07     0.05  -0.10   0.03     0.02   0.00  -0.02
    11   6    -0.01   0.01   0.01    -0.05  -0.02  -0.02    -0.12  -0.03  -0.02
    12   1    -0.00  -0.06   0.07    -0.09  -0.17  -0.25     0.00   0.11  -0.00
    13   1    -0.09  -0.11  -0.08     0.03   0.44  -0.09     0.04  -0.13   0.07
    14   1     0.06  -0.18   0.05     0.03   0.16   0.03    -0.19  -0.08  -0.00
    15   1     0.21   0.14   0.11     0.11  -0.14   0.27    -0.13  -0.09  -0.06
    16   1    -0.05  -0.19  -0.02    -0.06   0.02  -0.01     0.14   0.16   0.12
    17   1    -0.06  -0.19   0.03     0.01   0.11   0.02    -0.08  -0.16   0.08
    18   1     0.08   0.11  -0.21    -0.08  -0.10   0.18     0.03   0.13  -0.17
    19   1    -0.16  -0.31   0.17     0.09   0.17  -0.07    -0.08  -0.06  -0.03
    20   1     0.03  -0.10   0.12    -0.28   0.07   0.22     0.17  -0.07  -0.11
    21   1    -0.20   0.02   0.24     0.01  -0.18  -0.07    -0.06   0.11   0.10
    22   1     0.41  -0.28  -0.24     0.12  -0.21  -0.22     0.00   0.07   0.09
    23   1     0.18  -0.01  -0.03    -0.07  -0.03  -0.01    -0.12  -0.10   0.06
    24   1     0.04   0.11  -0.03    -0.02  -0.08   0.00     0.09  -0.15  -0.02
    25   1     0.01  -0.00   0.02     0.12  -0.06  -0.14     0.24  -0.12  -0.25
    26   1     0.01  -0.01  -0.02     0.11  -0.01  -0.14     0.22  -0.02  -0.29
    27   1    -0.00   0.01   0.05    -0.01   0.10   0.22    -0.02   0.21   0.49
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1023.2936              1036.8441              1048.1019
 Red. masses --      1.1644                 1.6630                 1.6073
 Frc consts  --      0.7184                 1.0533                 1.0403
 IR Inten    --     29.7306                 3.2904                 6.8977
 RamAct Fr= 1--      1.1776                 6.6820                40.1972
  Dep-P Fr= 1--      0.6341                 0.4539                 0.2077
  Dep-U Fr= 1--      0.7761                 0.6244                 0.3440
 Alpha2 Fr= 1--      0.0025                 0.0403                 0.5347
 Beta2  Fr= 1--      0.1523                 0.6954                 2.3048
 AlphaG Fr= 1--     -0.1503                 0.2936                -0.1442
 Gamma2 Fr= 1--     -0.0584                 3.5743                -3.2599
 Delta2 Fr= 1--     -0.0804                 0.3680                 2.7953
 Raman1 Fr= 1--       4.710                 26.728                160.789
 ROA1   Fr= 1--      -8.182                354.909               -223.503
 CID1   Fr= 1--      -1.737                 13.279                 -1.390
 Raman2 Fr= 1--       1.828                  8.345                 27.657
 ROA2   Fr= 1--      -0.760                 82.840               -100.601
 CID2   Fr= 1--      -0.416                  9.927                 -3.637
 Raman3 Fr= 1--       3.656                 16.690                 55.315
 ROA3   Fr= 1--      -8.182                354.909               -223.503
 CID3   Fr= 1--      -2.238                 21.265                 -4.041
 RC180  Fr= 1--       0.552                  0.249                 -0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.00     0.06   0.03   0.04     0.09   0.01  -0.05
     2   6     0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.04  -0.05   0.06
     3   6    -0.03  -0.00  -0.02     0.07   0.11   0.03    -0.12  -0.03  -0.01
     4   6     0.01  -0.07   0.03     0.00  -0.06   0.03     0.06  -0.01  -0.05
     5   6     0.03  -0.05   0.01    -0.04  -0.00   0.02     0.03   0.01   0.02
     6   6    -0.01   0.03  -0.01    -0.01   0.03  -0.01     0.00   0.01  -0.02
     7   8     0.01  -0.00   0.01    -0.01  -0.01  -0.01    -0.01  -0.01   0.00
     8   6     0.01  -0.00   0.02    -0.05  -0.02  -0.07    -0.02  -0.05  -0.03
     9   6     0.02   0.00   0.00    -0.07  -0.00   0.01    -0.01   0.03   0.07
    10   6    -0.00   0.01   0.01     0.03  -0.09  -0.04    -0.01   0.06   0.01
    11   6    -0.02  -0.02   0.01     0.05  -0.01   0.01    -0.01  -0.01   0.01
    12   1     0.02   0.01   0.04    -0.06  -0.04  -0.18     0.05  -0.32   0.07
    13   1    -0.02  -0.01  -0.01     0.07   0.12   0.03     0.05   0.43   0.01
    14   1    -0.06  -0.07  -0.00     0.11   0.11   0.03    -0.03  -0.04  -0.01
    15   1     0.06   0.05   0.03    -0.21  -0.27  -0.02     0.22   0.18   0.14
    16   1    -0.01  -0.01  -0.01     0.10   0.17   0.10    -0.24  -0.10  -0.21
    17   1     0.05   0.05  -0.05    -0.13  -0.23   0.15    -0.14  -0.11   0.21
    18   1     0.01  -0.04   0.05     0.02   0.21  -0.25    -0.11   0.11  -0.04
    19   1     0.02  -0.01   0.03    -0.10  -0.02  -0.10     0.03   0.29  -0.29
    20   1    -0.05   0.04   0.01     0.27  -0.16  -0.09     0.21  -0.09  -0.14
    21   1     0.06  -0.04  -0.07    -0.19   0.18   0.26    -0.01   0.08   0.05
    22   1    -0.06   0.02   0.00     0.18  -0.02   0.04    -0.02   0.08   0.10
    23   1    -0.11   0.62  -0.27    -0.13   0.23  -0.10     0.22  -0.01  -0.04
    24   1    -0.08   0.58  -0.27    -0.12   0.11  -0.03     0.07   0.01   0.02
    25   1     0.05  -0.04  -0.13    -0.08   0.03  -0.01     0.01  -0.01  -0.05
    26   1     0.04   0.04   0.00    -0.09   0.05   0.16    -0.00   0.04   0.05
    27   1    -0.01   0.09   0.09     0.00  -0.04  -0.21    -0.01   0.04   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1051.0773              1155.3002              1195.1245
 Red. masses --      1.8581                 1.6878                 1.9370
 Frc consts  --      1.2095                 1.3273                 1.6301
 IR Inten    --      0.5821                12.3866                 3.0523
 RamAct Fr= 1--      2.5159                60.6666                12.3844
  Dep-P Fr= 1--      0.5993                 0.3773                 0.4417
  Dep-U Fr= 1--      0.7494                 0.5479                 0.6127
 Alpha2 Fr= 1--      0.0070                 0.4864                 0.0785
 Beta2  Fr= 1--      0.3143                 5.5396                 1.2647
 AlphaG Fr= 1--     -0.0340                 0.1595                -0.1097
 Gamma2 Fr= 1--     -0.6142                -2.9992                 0.6927
 Delta2 Fr= 1--     -0.1109                -0.9713                 1.3788
 Raman1 Fr= 1--      10.064                242.666                 49.538
 ROA1   Fr= 1--     -62.511               -319.003                110.617
 CID1   Fr= 1--      -6.212                 -1.315                  2.233
 Raman2 Fr= 1--       3.771                 66.475                 15.176
 ROA2   Fr= 1--     -13.853                -64.210                  5.593
 CID2   Fr= 1--      -3.674                 -0.966                  0.369
 Raman3 Fr= 1--       7.542                132.950                 30.353
 ROA3   Fr= 1--     -62.511               -319.003                110.617
 CID3   Fr= 1--      -8.288                 -2.399                  3.644
 RC180  Fr= 1--       0.499                  0.096                  0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.04   0.01   0.06    -0.04  -0.01  -0.04
     2   6     0.01   0.00  -0.01    -0.05  -0.02  -0.11     0.09   0.03   0.10
     3   6     0.01  -0.01   0.00     0.10  -0.12  -0.01     0.09  -0.02  -0.10
     4   6    -0.02   0.05  -0.02    -0.06   0.03   0.04    -0.13   0.01   0.08
     5   6     0.01  -0.07   0.03    -0.01  -0.02  -0.01    -0.05  -0.01  -0.01
     6   6    -0.04   0.19  -0.08     0.00  -0.01   0.00     0.04  -0.01  -0.03
     7   8     0.01  -0.03   0.02     0.01   0.01   0.01     0.03   0.01   0.02
     8   6     0.00   0.01   0.01     0.01   0.01   0.03    -0.05  -0.01  -0.06
     9   6     0.01  -0.00  -0.01     0.00   0.06  -0.01    -0.01  -0.03  -0.02
    10   6    -0.00   0.00   0.00     0.01   0.02   0.06    -0.07   0.00   0.00
    11   6     0.03  -0.14   0.06    -0.01   0.00  -0.00    -0.03  -0.00   0.01
    12   1    -0.00   0.04   0.01     0.07  -0.41   0.13     0.01  -0.13   0.04
    13   1    -0.01  -0.06  -0.00    -0.03   0.15  -0.05    -0.03   0.18  -0.07
    14   1     0.00   0.01  -0.01     0.02   0.60  -0.25     0.59   0.05  -0.14
    15   1    -0.02   0.00  -0.02    -0.13  -0.00  -0.19     0.22   0.18   0.07
    16   1     0.02  -0.01   0.01    -0.12  -0.14  -0.10     0.02  -0.10   0.03
    17   1     0.02   0.03  -0.02    -0.09  -0.22   0.09     0.07   0.16  -0.07
    18   1     0.01  -0.02   0.02     0.01   0.15  -0.18     0.01  -0.12   0.12
    19   1     0.00  -0.02   0.03    -0.12  -0.09  -0.04     0.10   0.05   0.06
    20   1    -0.04   0.02   0.02    -0.11   0.07   0.01     0.19  -0.13  -0.04
    21   1     0.01  -0.02  -0.02     0.05  -0.05  -0.07    -0.13   0.16   0.17
    22   1    -0.01  -0.01  -0.01    -0.10   0.01  -0.02     0.15   0.02   0.07
    23   1     0.04  -0.31   0.14    -0.11   0.03   0.04    -0.00   0.04   0.08
    24   1     0.00  -0.01   0.00     0.04   0.09  -0.05     0.35   0.07  -0.01
    25   1     0.02  -0.09  -0.58     0.01  -0.00  -0.00     0.06  -0.03  -0.02
    26   1    -0.07   0.35   0.47     0.01  -0.01  -0.03     0.05   0.02  -0.04
    27   1    -0.05   0.29  -0.12     0.00   0.00   0.03    -0.01   0.06   0.14
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1204.7934              1227.6541              1242.1751
 Red. masses --      1.6792                 1.4227                 1.8297
 Frc consts  --      1.4361                 1.2633                 1.6634
 IR Inten    --      5.4146                 2.7977                 5.1363
 RamAct Fr= 1--     18.7201                37.0605                14.9409
  Dep-P Fr= 1--      0.3049                 0.4536                 0.3364
  Dep-U Fr= 1--      0.4674                 0.6241                 0.5035
 Alpha2 Fr= 1--      0.1892                 0.2239                 0.1370
 Beta2  Fr= 1--      1.4582                 3.8548                 1.2538
 AlphaG Fr= 1--      0.2692                 0.0971                 0.1026
 Gamma2 Fr= 1--      4.3398                 1.5392                 2.0041
 Delta2 Fr= 1--     -0.2041                 1.2110                 0.9685
 Raman1 Fr= 1--      74.881                148.242                 59.764
 ROA1   Fr= 1--     410.091                186.510                223.388
 CID1   Fr= 1--       5.477                  1.258                  3.738
 Raman2 Fr= 1--      17.499                 46.257                 15.045
 ROA2   Fr= 1--     105.789                 27.252                 40.351
 CID2   Fr= 1--       6.046                  0.589                  2.682
 Raman3 Fr= 1--      34.997                 92.515                 30.091
 ROA3   Fr= 1--     410.091                186.510                223.388
 CID3   Fr= 1--      11.718                  2.016                  7.424
 RC180  Fr= 1--      -0.065                  0.248                  0.007
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.04   0.01     0.04   0.02   0.04    -0.00  -0.06   0.02
     2   6     0.15  -0.06   0.00    -0.08  -0.03  -0.08     0.05   0.18  -0.08
     3   6    -0.00  -0.08   0.03     0.04   0.01  -0.01     0.04   0.00   0.00
     4   6     0.03   0.02  -0.02    -0.05  -0.00   0.02     0.01   0.02   0.01
     5   6     0.01  -0.01  -0.00    -0.02  -0.00   0.00     0.02  -0.00  -0.01
     6   6    -0.00  -0.00   0.01     0.01  -0.00  -0.01    -0.03   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01    -0.00  -0.00  -0.01
     8   6    -0.06   0.03  -0.03     0.03   0.02   0.03    -0.03  -0.07   0.03
     9   6    -0.05  -0.02   0.07    -0.01  -0.04   0.09    -0.06   0.08   0.01
    10   6     0.02   0.03  -0.07     0.01  -0.00  -0.06    -0.02  -0.07  -0.04
    11   6     0.01   0.00  -0.00    -0.01  -0.00   0.00     0.02   0.00  -0.01
    12   1    -0.06   0.10  -0.18    -0.08   0.51  -0.22     0.01  -0.40  -0.05
    13   1     0.15   0.09   0.13     0.10  -0.06   0.14     0.10  -0.39   0.18
    14   1    -0.40   0.46  -0.14     0.33  -0.11   0.02    -0.03  -0.10   0.04
    15   1     0.20   0.07   0.25     0.31   0.09   0.31     0.33   0.04   0.38
    16   1    -0.13   0.09  -0.17    -0.26   0.00  -0.26    -0.09  -0.02  -0.07
    17   1     0.11   0.08  -0.20    -0.05  -0.14   0.05    -0.07  -0.04   0.14
    18   1     0.14  -0.05  -0.04    -0.01   0.12  -0.12    -0.10  -0.09   0.16
    19   1     0.00  -0.16   0.19    -0.10  -0.06  -0.06     0.02   0.01   0.00
    20   1     0.04  -0.07   0.07    -0.12   0.07   0.04     0.11   0.02  -0.21
    21   1    -0.18   0.11   0.21     0.04  -0.08  -0.07     0.13   0.12  -0.09
    22   1     0.10   0.00   0.03    -0.07  -0.03  -0.06    -0.15   0.15   0.17
    23   1    -0.06   0.00  -0.02     0.07   0.01   0.02    -0.13  -0.03   0.02
    24   1    -0.19   0.00  -0.02     0.20   0.04   0.00    -0.14  -0.03  -0.02
    25   1    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.03   0.01  -0.01
    26   1    -0.01  -0.01   0.00     0.01   0.00  -0.01    -0.02  -0.02   0.00
    27   1     0.00  -0.01  -0.02    -0.00   0.01   0.02     0.00  -0.03  -0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.8670              1271.0663              1280.9407
 Red. masses --      1.5291                 1.6941                 1.8649
 Frc consts  --      1.4119                 1.6126                 1.8028
 IR Inten    --     16.9308                93.1773                38.4718
 RamAct Fr= 1--     19.6971                49.1297                 3.5322
  Dep-P Fr= 1--      0.3982                 0.2651                 0.3886
  Dep-U Fr= 1--      0.5696                 0.4191                 0.5597
 Alpha2 Fr= 1--      0.1468                 0.5579                 0.0272
 Beta2  Fr= 1--      1.8699                 3.4321                 0.3295
 AlphaG Fr= 1--     -0.0195                 0.0174                -0.0458
 Gamma2 Fr= 1--      1.1856                 1.2985                -0.3692
 Delta2 Fr= 1--     -0.3442                 0.4659                 0.0876
 Raman1 Fr= 1--      78.789                196.519                 14.129
 ROA1   Fr= 1--     102.806                139.569                -32.642
 CID1   Fr= 1--       1.305                  0.710                 -2.310
 Raman2 Fr= 1--      22.438                 41.185                  3.954
 ROA2   Fr= 1--      31.209                 27.438                 -9.562
 CID2   Fr= 1--       1.391                  0.666                 -2.418
 Raman3 Fr= 1--      44.877                 82.371                  7.908
 ROA3   Fr= 1--     102.806                139.569                -32.642
 CID3   Fr= 1--       2.291                  1.694                 -4.128
 RC180  Fr= 1--       0.139                 -0.162                  0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02     0.01  -0.00  -0.01    -0.03   0.01   0.01
     2   6    -0.02  -0.03  -0.03    -0.04   0.01   0.03     0.08  -0.02  -0.03
     3   6     0.09   0.01  -0.06    -0.04  -0.04   0.05     0.00   0.04  -0.07
     4   6     0.02   0.03   0.05    -0.01  -0.02  -0.04    -0.01   0.01   0.02
     5   6     0.05  -0.00  -0.03     0.03  -0.01  -0.04     0.04  -0.02  -0.06
     6   6    -0.04   0.01   0.05    -0.13   0.04   0.14    -0.12   0.04   0.14
     7   8    -0.01  -0.01  -0.02     0.03  -0.00  -0.02     0.02  -0.01  -0.02
     8   6    -0.00   0.01   0.00     0.01   0.00  -0.01    -0.03   0.00   0.00
     9   6     0.05  -0.04   0.02     0.03   0.01  -0.00    -0.04  -0.02   0.00
    10   6    -0.12  -0.01   0.00    -0.05  -0.01  -0.07     0.08   0.03   0.10
    11   6     0.03   0.00  -0.01     0.04   0.00  -0.01     0.05   0.00  -0.02
    12   1     0.04   0.04   0.09     0.03   0.03   0.06    -0.03  -0.04  -0.08
    13   1    -0.12   0.47  -0.17    -0.02  -0.07  -0.01     0.03   0.14  -0.00
    14   1    -0.22  -0.27   0.04     0.02   0.35  -0.08     0.01  -0.39   0.07
    15   1     0.31   0.25   0.14     0.12   0.05   0.13    -0.23  -0.08  -0.23
    16   1     0.21  -0.07   0.23     0.34   0.19   0.28    -0.43  -0.22  -0.36
    17   1    -0.01  -0.06   0.00    -0.00   0.03   0.02     0.02  -0.01  -0.06
    18   1     0.02   0.06  -0.08    -0.03   0.01  -0.00     0.06  -0.04   0.01
    19   1    -0.04  -0.03  -0.02     0.01   0.04  -0.03     0.00  -0.07   0.08
    20   1    -0.03   0.01   0.02    -0.00   0.00   0.00     0.02  -0.02   0.01
    21   1    -0.02  -0.01   0.01     0.01  -0.03  -0.02    -0.04   0.05   0.05
    22   1    -0.01  -0.01  -0.02     0.01  -0.02  -0.03     0.01   0.03   0.04
    23   1    -0.32  -0.07   0.05     0.15   0.03  -0.05    -0.12  -0.03   0.03
    24   1    -0.34  -0.09  -0.03     0.61   0.11  -0.05     0.30   0.01  -0.05
    25   1    -0.04   0.02  -0.01    -0.05   0.03  -0.11    -0.06   0.03  -0.11
    26   1    -0.04  -0.03   0.01    -0.03  -0.11  -0.05    -0.03  -0.12  -0.05
    27   1     0.01  -0.04  -0.09    -0.01  -0.13  -0.28    -0.00  -0.11  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1289.9519              1303.8882              1337.3784
 Red. masses --      2.0363                 1.9694                 1.3621
 Frc consts  --      1.9964                 1.9727                 1.4354
 IR Inten    --      7.9247                11.5479                 0.5005
 RamAct Fr= 1--      6.3807                 1.6719                32.2628
  Dep-P Fr= 1--      0.5759                 0.3827                 0.2709
  Dep-U Fr= 1--      0.7309                 0.5536                 0.4264
 Alpha2 Fr= 1--      0.0209                 0.0132                 0.3603
 Beta2  Fr= 1--      0.7773                 0.1543                 2.2926
 AlphaG Fr= 1--     -0.0319                -0.0153                 0.0084
 Gamma2 Fr= 1--     -4.0753                 0.2214                 0.5129
 Delta2 Fr= 1--     -4.8816                -0.3309                 0.0584
 Raman1 Fr= 1--      25.523                  6.688                129.051
 ROA1   Fr= 1--    -547.444                 10.665                 51.109
 CID1   Fr= 1--     -21.449                  1.595                  0.396
 Raman2 Fr= 1--       9.327                  1.851                 27.511
 ROA2   Fr= 1--     -58.756                  7.961                 11.842
 CID2   Fr= 1--      -6.299                  4.301                  0.430
 Raman3 Fr= 1--      18.655                  3.702                 55.022
 ROA3   Fr= 1--    -547.444                 10.665                 51.109
 CID3   Fr= 1--     -29.346                  2.881                  0.929
 RC180  Fr= 1--       0.462                  0.107                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07  -0.02    -0.03  -0.01   0.04    -0.00   0.01  -0.00
     2   6    -0.06   0.20   0.07     0.11   0.08  -0.18     0.01  -0.00  -0.02
     3   6     0.01  -0.07  -0.01    -0.03   0.02   0.08    -0.03   0.00   0.02
     4   6     0.02   0.02   0.02    -0.02  -0.02  -0.07    -0.01   0.04   0.10
     5   6     0.03  -0.00  -0.01    -0.06   0.00   0.04     0.00  -0.05  -0.12
     6   6    -0.01   0.00   0.02     0.04  -0.01  -0.04    -0.02   0.01   0.03
     7   8    -0.01  -0.00  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.01
     8   6     0.01  -0.07  -0.01    -0.02  -0.04   0.04    -0.00  -0.00   0.00
     9   6     0.01  -0.16   0.01    -0.01  -0.08   0.04    -0.00  -0.00   0.00
    10   6     0.04   0.04   0.02    -0.02  -0.01  -0.00     0.00  -0.00  -0.01
    11   6     0.01   0.00  -0.00    -0.02  -0.00   0.01     0.00   0.01   0.01
    12   1    -0.10   0.56  -0.16    -0.01  -0.02  -0.08    -0.00  -0.01   0.02
    13   1    -0.07   0.22  -0.11    -0.09   0.62  -0.17     0.02   0.06  -0.00
    14   1    -0.11   0.36  -0.15    -0.02  -0.11   0.12     0.23   0.04   0.01
    15   1    -0.19  -0.08  -0.12    -0.10  -0.05  -0.06    -0.02  -0.01  -0.04
    16   1    -0.10  -0.08  -0.12     0.21   0.05   0.18     0.04   0.05   0.04
    17   1    -0.04   0.11   0.16    -0.04  -0.11   0.02    -0.03  -0.02   0.02
    18   1    -0.16  -0.02   0.09     0.04  -0.06   0.06    -0.00  -0.01   0.03
    19   1     0.08   0.16  -0.09    -0.04  -0.14   0.11    -0.00  -0.05   0.03
    20   1     0.09  -0.01  -0.16    -0.06   0.08  -0.09    -0.02   0.01   0.01
    21   1     0.10   0.10  -0.06     0.05   0.12   0.02    -0.00   0.01   0.01
    22   1    -0.02   0.06   0.08    -0.17   0.14   0.13    -0.02   0.01   0.01
    23   1    -0.14   0.01   0.01     0.25   0.00  -0.06     0.76   0.19   0.12
    24   1    -0.20  -0.01  -0.03     0.34   0.08   0.04    -0.46  -0.14  -0.12
    25   1    -0.02   0.01  -0.00     0.04  -0.02   0.03     0.01   0.00  -0.07
    26   1    -0.01  -0.02   0.00     0.03   0.04   0.00     0.02  -0.05  -0.04
    27   1     0.00  -0.01  -0.03    -0.01   0.03   0.07    -0.02  -0.05  -0.10
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.7826              1389.0310              1405.6719
 Red. masses --      1.4893                 1.3438                 1.2754
 Frc consts  --      1.6657                 1.5276                 1.4848
 IR Inten    --     11.2261                36.5652                 8.8928
 RamAct Fr= 1--      1.7057                 0.8887                 1.0173
  Dep-P Fr= 1--      0.3913                 0.5877                 0.3963
  Dep-U Fr= 1--      0.5625                 0.7403                 0.5677
 Alpha2 Fr= 1--      0.0130                 0.0027                 0.0076
 Beta2  Fr= 1--      0.1599                 0.1096                 0.0963
 AlphaG Fr= 1--      0.0146                 0.0005                -0.0130
 Gamma2 Fr= 1--     -0.4502                -0.1033                -0.3277
 Delta2 Fr= 1--      0.2080                 0.1422                -0.0329
 Raman1 Fr= 1--       6.823                  3.555                  4.069
 ROA1   Fr= 1--     -36.567                 -5.367                -32.514
 CID1   Fr= 1--      -5.359                 -1.510                 -7.990
 Raman2 Fr= 1--       1.919                  1.316                  1.155
 ROA2   Fr= 1--     -12.469                 -3.616                 -7.603
 CID2   Fr= 1--      -6.498                 -2.748                 -6.582
 Raman3 Fr= 1--       3.838                  2.632                  2.310
 ROA3   Fr= 1--     -36.567                 -5.367                -32.514
 CID3   Fr= 1--      -9.528                 -2.039                -14.075
 RC180  Fr= 1--       0.125                  0.481                  0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.00     0.00  -0.00  -0.00    -0.03  -0.06   0.07
     2   6     0.03  -0.02  -0.05    -0.00   0.00   0.01     0.02   0.01  -0.03
     3   6    -0.14  -0.03   0.00     0.03   0.01  -0.00    -0.02  -0.00   0.01
     4   6     0.03   0.01   0.01    -0.01   0.00   0.01     0.00   0.00   0.00
     5   6     0.10   0.03   0.02    -0.01  -0.02  -0.04     0.00  -0.00  -0.00
     6   6    -0.02   0.01   0.03    -0.04   0.01   0.05     0.00  -0.00  -0.00
     7   8    -0.02  -0.01  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.01    -0.00   0.00  -0.00    -0.08   0.04   0.07
     9   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    10   6     0.01   0.00  -0.02    -0.00  -0.00   0.01     0.00   0.00  -0.00
    11   6     0.02  -0.01  -0.04     0.03  -0.06  -0.14     0.00   0.00   0.00
    12   1     0.01  -0.01   0.01    -0.00   0.00   0.00    -0.00  -0.02  -0.02
    13   1     0.02   0.08   0.00    -0.00  -0.01   0.00    -0.00   0.05  -0.01
    14   1     0.75   0.11  -0.06    -0.15  -0.02   0.01     0.07  -0.01   0.01
    15   1    -0.05  -0.03  -0.06     0.01   0.01   0.01    -0.02  -0.02   0.02
    16   1     0.09   0.12   0.07    -0.02  -0.02  -0.02     0.02  -0.01   0.01
    17   1    -0.03  -0.07  -0.02     0.01   0.02   0.00     0.25   0.22  -0.18
    18   1     0.05  -0.05   0.05    -0.02   0.01  -0.01     0.04   0.15  -0.36
    19   1    -0.01  -0.07   0.06    -0.00   0.01  -0.01     0.00   0.31  -0.15
    20   1    -0.04   0.01   0.02     0.01  -0.01  -0.00     0.39  -0.05  -0.18
    21   1     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.17  -0.13  -0.38
    22   1    -0.02   0.02   0.02     0.01  -0.01  -0.00     0.25  -0.31  -0.13
    23   1    -0.42  -0.07  -0.01     0.19   0.04   0.02     0.02  -0.00   0.01
    24   1    -0.24  -0.03   0.03     0.10   0.00  -0.04    -0.02  -0.01  -0.00
    25   1    -0.08   0.01   0.13    -0.11  -0.04   0.57    -0.00   0.00  -0.01
    26   1    -0.09   0.06   0.11    -0.19   0.39   0.38    -0.00  -0.01  -0.00
    27   1     0.05   0.06   0.11     0.12   0.20   0.41     0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.8678              1471.5776              1480.1373
 Red. masses --      1.2269                 1.0569                 1.0473
 Frc consts  --      1.4635                 1.3485                 1.3518
 IR Inten    --      3.3028                 9.8168                 9.7577
 RamAct Fr= 1--      0.9057                 2.8209                 3.7838
  Dep-P Fr= 1--      0.6865                 0.7443                 0.7500
  Dep-U Fr= 1--      0.8141                 0.8534                 0.8571
 Alpha2 Fr= 1--      0.0010                 0.0003                 0.0000
 Beta2  Fr= 1--      0.1229                 0.4012                 0.5405
 AlphaG Fr= 1--     -0.0040                -0.0013                 0.0002
 Gamma2 Fr= 1--     -0.1662                -0.4172                 1.5041
 Delta2 Fr= 1--     -0.0959                -0.2478                 1.1049
 Raman1 Fr= 1--       3.623                 11.284                 15.135
 ROA1   Fr= 1--     -19.028                -47.980                179.747
 CID1   Fr= 1--      -5.252                 -4.252                 11.876
 Raman2 Fr= 1--       1.475                  4.815                  6.487
 ROA2   Fr= 1--      -3.223                 -8.030                 27.259
 CID2   Fr= 1--      -2.185                 -1.668                  4.202
 Raman3 Fr= 1--       2.949                  9.630                 12.973
 ROA3   Fr= 1--     -19.028                -47.980                179.747
 CID3   Fr= 1--      -6.452                 -4.983                 13.855
 RC180  Fr= 1--       0.628                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.07  -0.07     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00   0.01   0.02     0.00  -0.02   0.01
     7   8     0.00   0.00   0.00    -0.02  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6     0.01  -0.01   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00  -0.00   0.00    -0.05  -0.01   0.01     0.01  -0.05   0.02
    12   1    -0.00   0.02  -0.06    -0.00   0.00   0.01    -0.00   0.00   0.01
    13   1    -0.06   0.01  -0.03     0.01   0.00   0.00     0.01   0.00   0.00
    14   1    -0.06   0.02  -0.01     0.03   0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.02  -0.01   0.02     0.01   0.01  -0.02    -0.01  -0.01   0.02
    16   1     0.01  -0.03  -0.00    -0.01   0.02  -0.00     0.01  -0.02  -0.00
    17   1    -0.28  -0.29   0.17     0.00   0.01   0.00    -0.03   0.00   0.03
    18   1     0.00  -0.19   0.40    -0.01   0.01  -0.01     0.04  -0.01  -0.03
    19   1    -0.01  -0.34   0.17    -0.00  -0.01   0.00     0.05   0.02   0.04
    20   1     0.36  -0.07  -0.12     0.00  -0.01   0.01     0.01   0.01  -0.03
    21   1     0.12  -0.16  -0.32     0.00  -0.00  -0.00    -0.02  -0.01   0.02
    22   1     0.22  -0.26  -0.12     0.00   0.01   0.01    -0.03  -0.02  -0.03
    23   1    -0.00   0.01  -0.01    -0.05  -0.01   0.00     0.00  -0.00   0.00
    24   1     0.02   0.01  -0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    25   1     0.01  -0.00   0.00     0.53  -0.17   0.30    -0.42   0.08   0.21
    26   1     0.01   0.01  -0.00     0.41   0.49   0.02     0.40   0.03  -0.26
    27   1    -0.00  -0.00  -0.00    -0.11  -0.18  -0.38    -0.12   0.65  -0.28
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1638              1485.1971              1492.4537
 Red. masses --      1.0673                 1.0452                 1.0649
 Frc consts  --      1.3834                 1.3583                 1.3975
 IR Inten    --      1.3267                 1.5347                 6.0018
 RamAct Fr= 1--      5.7531                 8.4378                 5.3664
  Dep-P Fr= 1--      0.6978                 0.7164                 0.7500
  Dep-U Fr= 1--      0.8220                 0.8348                 0.8571
 Alpha2 Fr= 1--      0.0052                 0.0049                 0.0000
 Beta2  Fr= 1--      0.7882                 1.1739                 0.7666
 AlphaG Fr= 1--     -0.0261                 0.0062                 0.0002
 Gamma2 Fr= 1--     -1.8595                -1.3438                 1.6813
 Delta2 Fr= 1--     -0.7372                -0.2144                 0.7631
 Raman1 Fr= 1--      23.012                 33.751                 21.465
 ROA1   Fr= 1--    -202.100               -135.865                185.821
 CID1   Fr= 1--      -8.782                 -4.025                  8.657
 Raman2 Fr= 1--       9.458                 14.087                  9.199
 ROA2   Fr= 1--     -38.730                -30.535                 34.245
 CID2   Fr= 1--      -4.095                 -2.168                  3.723
 Raman3 Fr= 1--      18.917                 28.175                 18.399
 ROA3   Fr= 1--    -202.100               -135.865                185.821
 CID3   Fr= 1--     -10.684                 -4.822                 10.100
 RC180  Fr= 1--       0.644                  0.670                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.01   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.01   0.03    -0.00  -0.02   0.01
     9   6    -0.02  -0.01  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    12   1    -0.04   0.10   0.36    -0.00   0.00   0.00     0.02  -0.04  -0.22
    13   1     0.35   0.06   0.12     0.00  -0.00   0.01    -0.22  -0.07  -0.07
    14   1    -0.01  -0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.18   0.27    -0.01  -0.01   0.03     0.17   0.20  -0.30
    16   1     0.15  -0.33  -0.01     0.01  -0.03  -0.01    -0.17   0.36   0.01
    17   1    -0.00  -0.26  -0.17    -0.20  -0.06   0.21     0.02  -0.34  -0.25
    18   1     0.21  -0.15   0.09     0.36  -0.10  -0.21     0.29  -0.20   0.10
    19   1    -0.04   0.15  -0.12     0.37   0.22   0.26    -0.05   0.23  -0.17
    20   1    -0.19   0.14  -0.10     0.09   0.16  -0.31    -0.15   0.13  -0.12
    21   1     0.14   0.31  -0.03    -0.17  -0.09   0.23     0.11   0.26  -0.00
    22   1     0.19  -0.09   0.02    -0.33  -0.17  -0.31     0.15  -0.10  -0.01
    23   1    -0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    25   1     0.02  -0.01   0.00     0.05  -0.01  -0.02    -0.01   0.00   0.01
    26   1     0.00   0.01   0.00    -0.04   0.01   0.03     0.01   0.00  -0.01
    27   1    -0.00  -0.01  -0.01     0.01  -0.07   0.03    -0.00   0.02  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.9772              1505.3942              1509.0072
 Red. masses --      1.0905                 1.0666                 1.0665
 Frc consts  --      1.4494                 1.4241                 1.4308
 IR Inten    --      3.7765                 9.3533                 6.0435
 RamAct Fr= 1--      7.0671                 5.9115                 0.3640
  Dep-P Fr= 1--      0.6020                 0.6806                 0.2986
  Dep-U Fr= 1--      0.7516                 0.8100                 0.4599
 Alpha2 Fr= 1--      0.0193                 0.0072                 0.0037
 Beta2  Fr= 1--      0.8853                 0.7980                 0.0279
 AlphaG Fr= 1--     -0.0056                -0.0264                -0.0064
 Gamma2 Fr= 1--     -1.0644                -0.0527                -0.2617
 Delta2 Fr= 1--      0.1469                 1.1234                -0.0411
 Raman1 Fr= 1--      28.268                 23.646                  1.456
 ROA1   Fr= 1--     -97.479                 30.890                -26.437
 CID1   Fr= 1--      -3.448                  1.306                -18.155
 Raman2 Fr= 1--      10.623                  9.576                  0.335
 ROA2   Fr= 1--     -26.720                -10.253                 -5.951
 CID2   Fr= 1--      -2.515                 -1.071                -17.775
 Raman3 Fr= 1--      21.246                 19.152                  0.670
 ROA3   Fr= 1--     -97.479                 30.890                -26.437
 CID3   Fr= 1--      -4.588                  1.613                -39.481
 RC180  Fr= 1--       0.503                  0.620                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.01     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.01  -0.02     0.02   0.02   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.02    -0.00   0.02  -0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.05   0.12   0.36    -0.03   0.06   0.24     0.04  -0.06  -0.25
    13   1     0.36   0.09   0.12     0.24   0.06   0.08    -0.25  -0.07  -0.08
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.13  -0.20     0.13   0.14  -0.21    -0.07  -0.08   0.13
    16   1    -0.11   0.25   0.01    -0.12   0.27   0.01     0.07  -0.15  -0.00
    17   1    -0.09  -0.15   0.02    -0.08   0.29   0.28    -0.17   0.03   0.23
    18   1     0.24  -0.11  -0.05    -0.19   0.16  -0.13     0.23  -0.02  -0.22
    19   1     0.14   0.17   0.05     0.13  -0.19   0.23     0.32   0.13   0.25
    20   1     0.16  -0.26   0.31    -0.19   0.19  -0.16    -0.17  -0.11   0.28
    21   1    -0.03  -0.30  -0.16     0.17   0.35  -0.04     0.18   0.14  -0.21
    22   1    -0.01   0.22   0.19     0.24  -0.18  -0.02     0.33   0.15   0.29
    23   1     0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.01   0.00  -0.01    -0.01   0.00  -0.01     0.01  -0.00   0.00
    26   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00    -0.01   0.00   0.01
    27   1     0.00   0.00   0.01     0.00  -0.00   0.01     0.00  -0.01   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.3405              1736.6947              3021.4584
 Red. masses --      5.8293                 9.9153                 1.0347
 Frc consts  --      9.8714                17.6198                 5.5652
 IR Inten    --     64.9537               287.7338                25.3744
 RamAct Fr= 1--    535.0704               265.9849                34.3073
  Dep-P Fr= 1--      0.2830                 0.3379                 0.0764
  Dep-U Fr= 1--      0.4411                 0.5051                 0.1419
 Alpha2 Fr= 1--      5.7709                 2.4276                 0.6361
 Beta2  Fr= 1--     39.3399                22.3919                 0.8115
 AlphaG Fr= 1--     -0.2478                 0.0818                 0.0850
 Gamma2 Fr= 1--     -3.2083                 2.5766                -1.9184
 Delta2 Fr= 1--      1.4895                -0.1919                -1.5989
 Raman1 Fr= 1--    2140.282               1063.940                137.229
 ROA1   Fr= 1--    -260.330                241.212               -235.331
 CID1   Fr= 1--      -0.122                  0.227                 -1.715
 Raman2 Fr= 1--     472.079                268.702                  9.739
 ROA2   Fr= 1--     -88.914                 63.373                -33.250
 CID2   Fr= 1--      -0.188                  0.236                 -3.414
 Raman3 Fr= 1--     944.157                537.405                 19.477
 ROA3   Fr= 1--    -260.330                241.212               -235.331
 CID3   Fr= 1--      -0.276                  0.449                -12.082
 RC180  Fr= 1--      -0.118                  0.010                 -0.716
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.00     0.01   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.14   0.14    -0.00   0.00   0.01    -0.00  -0.00  -0.00
     5   6    -0.40  -0.14  -0.14    -0.06  -0.03  -0.03     0.00   0.00   0.00
     6   6    -0.00  -0.01  -0.02     0.54   0.27   0.39     0.00  -0.00  -0.00
     7   8     0.05   0.02   0.02    -0.35  -0.18  -0.25    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.03   0.02   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.03  -0.02  -0.03    -0.00   0.00   0.00
    12   1     0.00   0.01   0.01    -0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    14   1     0.22   0.04  -0.02    -0.00   0.00  -0.00    -0.00   0.01   0.02
    15   1     0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01  -0.00
    16   1     0.01   0.04   0.03     0.00   0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.02  -0.01   0.02    -0.00  -0.00  -0.00    -0.24   0.10  -0.16
    18   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00     0.12   0.22   0.13
    19   1     0.01   0.00   0.01    -0.00   0.00  -0.00     0.14  -0.09  -0.13
    20   1    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.21  -0.41  -0.24
    21   1     0.01  -0.01  -0.01     0.00  -0.00  -0.01     0.42  -0.16   0.30
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14   0.30  -0.31
    23   1    -0.54  -0.03   0.16    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.39  -0.01  -0.18     0.30   0.05  -0.01     0.00   0.00   0.00
    25   1     0.04  -0.02   0.00    -0.09   0.02  -0.19    -0.00  -0.00  -0.00
    26   1     0.03   0.03  -0.01    -0.05  -0.17  -0.11    -0.00   0.00  -0.00
    27   1    -0.01   0.00   0.01     0.05   0.13   0.27     0.00   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.8051              3040.4778              3050.4954
 Red. masses --      1.0360                 1.0372                 1.0581
 Frc consts  --      5.5922                 5.6491                 5.8009
 IR Inten    --     25.7045                 4.3117                43.5468
 RamAct Fr= 1--    269.1715               141.9179               144.2089
  Dep-P Fr= 1--      0.0274                 0.0078                 0.1033
  Dep-U Fr= 1--      0.0534                 0.0155                 0.1872
 Alpha2 Fr= 1--      5.6088                 3.0967                 2.5046
 Beta2  Fr= 1--      2.3964                 0.3666                 4.5005
 AlphaG Fr= 1--     -1.1465                -0.5277                -0.0531
 Gamma2 Fr= 1--      2.9168                -0.1148                -1.4610
 Delta2 Fr= 1--     -0.4041                 1.3207                -3.3284
 Raman1 Fr= 1--    1076.686                567.672                576.836
 ROA1   Fr= 1--     267.085                 31.241               -246.766
 CID1   Fr= 1--       0.248                  0.055                 -0.428
 Raman2 Fr= 1--      28.757                  4.399                 54.005
 ROA2   Fr= 1--      73.237                -13.321                 -8.437
 CID2   Fr= 1--       2.547                 -3.028                 -0.156
 Raman3 Fr= 1--      57.514                  8.799                108.011
 ROA3   Fr= 1--     267.085                 31.241               -246.766
 CID3   Fr= 1--       4.644                  3.551                 -2.285
 RC180  Fr= 1--      -0.893                 -0.969                 -0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.03  -0.02  -0.06
    10   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
    12   1    -0.07  -0.01   0.00     0.00   0.00   0.00     0.63   0.09  -0.00
    13   1     0.03  -0.01  -0.07    -0.00   0.00   0.00    -0.30   0.15   0.66
    14   1    -0.00   0.02   0.04    -0.00  -0.00  -0.00    -0.00   0.03   0.08
    15   1     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.08  -0.11  -0.04
    16   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.04
    17   1     0.45  -0.18   0.30    -0.00   0.00  -0.00     0.04  -0.02   0.03
    18   1    -0.23  -0.41  -0.24     0.00   0.00   0.00    -0.03  -0.05  -0.03
    19   1    -0.27   0.18   0.25     0.00  -0.00  -0.00    -0.01   0.01   0.01
    20   1    -0.11  -0.21  -0.13     0.00   0.00   0.00    -0.02  -0.04  -0.02
    21   1     0.22  -0.09   0.15    -0.00   0.00  -0.00     0.02  -0.01   0.01
    22   1     0.08   0.17  -0.17    -0.00  -0.00   0.00     0.01   0.03  -0.03
    23   1     0.00  -0.01  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.17   0.62   0.02    -0.00  -0.00  -0.00
    26   1     0.00  -0.00   0.00     0.35  -0.34   0.44    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.38  -0.04   0.08     0.00   0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3061.7898              3069.5982              3080.1243
 Red. masses --      1.0783                 1.0674                 1.1018
 Frc consts  --      5.9558                 5.9255                 6.1586
 IR Inten    --     19.1590                23.8673                 2.0379
 RamAct Fr= 1--     32.9330               230.0165                11.0027
  Dep-P Fr= 1--      0.7236                 0.0207                 0.6324
  Dep-U Fr= 1--      0.8397                 0.0405                 0.7748
 Alpha2 Fr= 1--      0.0149                 4.8698                 0.0235
 Beta2  Fr= 1--      4.6087                 1.5539                 1.4208
 AlphaG Fr= 1--     -0.0886                 0.5050                 0.0372
 Gamma2 Fr= 1--     11.1941                -8.3338                 3.2707
 Delta2 Fr= 1--     -0.9863                -8.2464                 1.4304
 Raman1 Fr= 1--     131.732                920.066                 44.011
 ROA1   Fr= 1--    1043.071              -1063.931                359.762
 CID1   Fr= 1--       7.918                 -1.156                  8.174
 Raman2 Fr= 1--      55.305                 18.647                 17.049
 ROA2   Fr= 1--     276.549               -134.041                 67.055
 CID2   Fr= 1--       5.000                 -7.188                  3.933
 Raman3 Fr= 1--     110.610                 37.295                 34.098
 ROA3   Fr= 1--    1043.071              -1063.931                359.762
 CID3   Fr= 1--       9.430                -28.528                 10.551
 RC180  Fr= 1--       0.679                 -0.919                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.04     0.00   0.00   0.01
     4   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6     0.00   0.00   0.00    -0.01   0.01  -0.01     0.04   0.01   0.04
     9   6     0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.01   0.00   0.00
    10   6    -0.00  -0.03   0.02     0.01  -0.06   0.02     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.04  -0.01  -0.00     0.06   0.01  -0.00     0.06   0.01   0.00
    13   1    -0.01   0.00   0.02    -0.06   0.03   0.14     0.02  -0.01  -0.04
    14   1     0.02   0.26   0.81    -0.01  -0.14  -0.45    -0.00  -0.02  -0.07
    15   1    -0.19   0.25   0.09    -0.38   0.52   0.18    -0.03   0.05   0.01
    16   1     0.22   0.08  -0.30     0.31   0.11  -0.41    -0.00  -0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.41  -0.18   0.28
    18   1     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.21   0.40   0.22
    19   1     0.01  -0.01  -0.01    -0.02   0.01   0.02     0.05  -0.04  -0.07
    20   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01    -0.17  -0.36  -0.21
    21   1    -0.05   0.02  -0.03     0.09  -0.03   0.06    -0.37   0.15  -0.25
    22   1    -0.00  -0.00   0.01    -0.02  -0.03   0.03     0.03   0.05  -0.03
    23   1     0.01  -0.03  -0.07    -0.00   0.01   0.02    -0.00   0.01   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.5089              3089.3587              3091.0755
 Red. masses --      1.1011                 1.1019                 1.1068
 Frc consts  --      6.1765                 6.1965                 6.2310
 IR Inten    --     46.3497                21.5361                26.8831
 RamAct Fr= 1--    132.5241                62.9624                61.0966
  Dep-P Fr= 1--      0.7414                 0.7499                 0.6107
  Dep-U Fr= 1--      0.8515                 0.8571                 0.7583
 Alpha2 Fr= 1--      0.0194                 0.0001                 0.1565
 Beta2  Fr= 1--     18.8074                 8.9941                 7.7219
 AlphaG Fr= 1--      0.0889                 0.0037                -0.1614
 Gamma2 Fr= 1--     -9.9464                15.9710               -39.7668
 Delta2 Fr= 1--      5.1363                 4.4748               -20.5477
 Raman1 Fr= 1--     530.097                251.850                244.386
 ROA1   Fr= 1--    -790.491               1676.404              -4475.139
 CID1   Fr= 1--      -1.491                  6.656                -18.312
 Raman2 Fr= 1--     225.688                107.930                 92.662
 ROA2   Fr= 1--    -279.804                347.505               -790.022
 CID2   Fr= 1--      -1.240                  3.220                 -8.526
 Raman3 Fr= 1--     451.377                215.859                185.325
 ROA3   Fr= 1--    -790.491               1676.404              -4475.139
 CID3   Fr= 1--      -1.751                  7.766                -24.148
 RC180  Fr= 1--       0.703                  0.714                  0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.01  -0.03     0.01  -0.01  -0.01     0.01  -0.02  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.05  -0.01  -0.05     0.01   0.07  -0.04    -0.02  -0.03   0.00
     9   6     0.01   0.00  -0.01    -0.02   0.00   0.01    -0.07   0.00   0.04
    10   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.02  -0.01  -0.02
    11   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.11  -0.02  -0.00     0.22   0.03   0.01     0.64   0.10   0.02
    13   1    -0.03   0.02   0.08     0.07  -0.04  -0.18     0.19  -0.10  -0.46
    14   1     0.00   0.01   0.04     0.00   0.02   0.05     0.00   0.01   0.04
    15   1     0.04  -0.05  -0.02     0.02  -0.02  -0.01    -0.15   0.22   0.07
    16   1     0.01   0.01  -0.02    -0.03  -0.01   0.03    -0.13  -0.05   0.17
    17   1     0.38  -0.17   0.26    -0.02   0.01  -0.02    -0.02   0.00  -0.02
    18   1     0.18   0.35   0.19     0.04   0.06   0.04     0.06   0.10   0.06
    19   1     0.07  -0.06  -0.09    -0.11   0.07   0.11    -0.13   0.08   0.12
    20   1     0.18   0.39   0.23    -0.15  -0.28  -0.19     0.10   0.20   0.12
    21   1     0.41  -0.17   0.28     0.25  -0.08   0.16     0.02  -0.02   0.02
    22   1    -0.04  -0.05   0.04    -0.26  -0.52   0.54     0.08   0.17  -0.19
    23   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    24   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.2829              3096.6647              3116.9024
 Red. masses --      1.0993                 1.1008                 1.1072
 Frc consts  --      6.2093                 6.2194                 6.3377
 IR Inten    --      9.7706                30.5653                38.1556
 RamAct Fr= 1--     31.1439                62.7181                99.5978
  Dep-P Fr= 1--      0.7474                 0.7500                 0.5875
  Dep-U Fr= 1--      0.8554                 0.8571                 0.7402
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.3021
 Beta2  Fr= 1--      4.4402                 8.9597                12.2865
 AlphaG Fr= 1--     -0.0590                 0.0003                 0.2654
 Gamma2 Fr= 1--     -0.1921                14.8280                26.1659
 Delta2 Fr= 1--     -0.3532                -2.3700                17.3126
 Raman1 Fr= 1--     124.575                250.872                398.391
 ROA1   Fr= 1--     -29.748               1347.646               3065.925
 CID1   Fr= 1--      -0.239                  5.372                  7.696
 Raman2 Fr= 1--      53.283                107.516                147.437
 ROA2   Fr= 1--      -1.785                374.832                489.480
 CID2   Fr= 1--      -0.034                  3.486                  3.320
 Raman3 Fr= 1--     106.565                215.032                294.875
 ROA3   Fr= 1--     -29.748               1347.646               3065.925
 CID3   Fr= 1--      -0.279                  6.267                 10.397
 RC180  Fr= 1--       0.711                  0.714                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.06   0.05     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.00   0.01  -0.00
     9   6     0.00   0.00  -0.00    -0.02   0.00   0.01     0.03  -0.00  -0.02
    10   6    -0.00   0.00   0.00     0.01  -0.00  -0.01     0.06  -0.02  -0.06
    11   6     0.02  -0.08   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.01  -0.00  -0.00     0.18   0.03   0.01    -0.24  -0.04  -0.01
    13   1    -0.00   0.00   0.01     0.07  -0.04  -0.16    -0.10   0.05   0.25
    14   1     0.00  -0.00  -0.00    -0.00   0.01   0.02     0.00   0.02   0.07
    15   1     0.00  -0.00  -0.00    -0.05   0.08   0.02    -0.31   0.45   0.14
    16   1     0.00   0.00  -0.01    -0.06  -0.02   0.07    -0.41  -0.18   0.56
    17   1    -0.01   0.00  -0.01     0.16  -0.06   0.13    -0.01   0.00  -0.00
    18   1     0.01   0.02   0.01    -0.19  -0.31  -0.17     0.01   0.01   0.01
    19   1    -0.03   0.02   0.03     0.55  -0.34  -0.52    -0.02   0.01   0.02
    20   1     0.00   0.00   0.00    -0.02  -0.03  -0.02    -0.01  -0.02  -0.02
    21   1    -0.00   0.00  -0.00     0.04  -0.01   0.02     0.01  -0.00   0.01
    22   1     0.00   0.01  -0.01    -0.03  -0.06   0.06    -0.03  -0.05   0.06
    23   1     0.00  -0.00  -0.01    -0.01   0.03   0.08     0.01  -0.04  -0.10
    24   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.20   0.68   0.04     0.01   0.04   0.00    -0.00   0.00   0.00
    26   1    -0.39   0.34  -0.47    -0.02   0.02  -0.03    -0.00   0.00  -0.00
    27   1    -0.01  -0.02   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.4068              3146.1764              3158.7765
 Red. masses --      1.0888                 1.1008                 1.0883
 Frc consts  --      6.3226                 6.4201                 6.3980
 IR Inten    --     12.0967                10.3980                 9.9823
 RamAct Fr= 1--     60.6972                82.8350                52.0584
  Dep-P Fr= 1--      0.1885                 0.6101                 0.2272
  Dep-U Fr= 1--      0.3172                 0.7579                 0.3702
 Alpha2 Fr= 1--      0.8497                 0.2132                 0.6572
 Beta2  Fr= 1--      3.2088                10.4630                 3.2124
 AlphaG Fr= 1--     -0.3611                 0.0638                 0.4140
 Gamma2 Fr= 1--     -1.8429                 1.3566                 2.2701
 Delta2 Fr= 1--     -0.1071                 1.3552                 1.1203
 Raman1 Fr= 1--     242.789                331.340                208.233
 ROA1   Fr= 1--    -180.347                173.600                253.776
 CID1   Fr= 1--      -0.743                  0.524                  1.219
 Raman2 Fr= 1--      38.506                125.555                 38.548
 ROA2   Fr= 1--     -43.373                 21.717                 45.519
 CID2   Fr= 1--      -1.126                  0.173                  1.181
 Raman3 Fr= 1--      77.012                251.111                 77.097
 ROA3   Fr= 1--    -180.347                173.600                253.776
 CID3   Fr= 1--      -2.342                  0.691                  3.292
 RC180  Fr= 1--      -0.366                  0.516                 -0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.03  -0.07     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     5   6     0.00   0.01   0.02     0.00   0.00   0.01     0.00  -0.03  -0.08
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.01   0.00  -0.00    -0.09  -0.02   0.00    -0.00  -0.00   0.00
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   1    -0.02   0.01   0.04    -0.00   0.00   0.01    -0.00   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.04
    15   1    -0.03   0.05   0.02    -0.00   0.01   0.00    -0.00   0.01   0.00
    16   1    -0.03  -0.01   0.04    -0.00  -0.00   0.01    -0.01  -0.00   0.01
    17   1    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.06   0.03   0.05    -0.01   0.01   0.01    -0.01   0.01   0.01
    20   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.09   0.36   0.87    -0.01   0.06   0.13    -0.02   0.08   0.19
    24   1     0.01  -0.08  -0.18     0.01  -0.03  -0.08    -0.06   0.38   0.89
    25   1    -0.00  -0.02  -0.00     0.06   0.26   0.01     0.00   0.01   0.00
    26   1    -0.01   0.01  -0.02     0.13  -0.14   0.18     0.01  -0.01   0.01
    27   1    -0.15  -0.01   0.04     0.88   0.08  -0.20     0.04   0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   822.245333556.796303632.79357
           X            0.99977  -0.01240  -0.01744
           Y            0.01269   0.99978   0.01688
           Z            0.01723  -0.01710   0.99971
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10534     0.02435     0.02384
 Rotational constants (GHZ):           2.19489     0.50741     0.49679
 Zero-point vibrational energy     622135.1 (Joules/Mol)
                                  148.69385 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.50    88.44   106.17   179.38   218.24
          (Kelvin)            223.31   315.21   348.53   387.03   402.27
                              478.22   509.81   533.88   578.88   643.11
                              775.57   804.62   847.84   906.76  1050.43
                             1155.84  1213.15  1251.47  1285.04  1303.37
                             1362.04  1376.39  1404.07  1419.00  1460.47
                             1472.29  1491.79  1507.98  1512.27  1662.22
                             1719.52  1733.43  1766.32  1787.21  1801.16
                             1828.78  1842.99  1855.95  1876.00  1924.19
                             1982.32  1998.51  2022.45  2047.19  2117.27
                             2129.59  2133.94  2136.87  2147.31  2161.01
                             2165.93  2171.12  2439.22  2498.72  4347.20
                             4354.90  4374.57  4388.98  4405.23  4416.47
                             4431.61  4439.36  4444.90  4447.37  4454.86
                             4455.41  4484.53  4516.91  4526.65  4544.77
 
 Zero-point correction=                           0.236959 (Hartree/Particle)
 Thermal correction to Energy=                    0.249458
 Thermal correction to Enthalpy=                  0.250402
 Thermal correction to Gibbs Free Energy=         0.197971
 Sum of electronic and zero-point Energies=           -465.873446
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912433
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.537             46.448            110.350
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.742
 Vibrational            154.760             40.487             38.640
 Vibration     1          0.594              1.981              5.331
 Vibration     2          0.597              1.973              4.409
 Vibration     3          0.599              1.966              4.050
 Vibration     4          0.610              1.928              3.027
 Vibration     5          0.619              1.901              2.651
 Vibration     6          0.620              1.897              2.607
 Vibration     7          0.647              1.812              1.967
 Vibration     8          0.658              1.776              1.786
 Vibration     9          0.673              1.730              1.603
 Vibration    10          0.680              1.711              1.536
 Vibration    11          0.714              1.611              1.248
 Vibration    12          0.730              1.566              1.147
 Vibration    13          0.743              1.532              1.075
 Vibration    14          0.768              1.465              0.954
 Vibration    15          0.806              1.368              0.805
 Vibration    16          0.894              1.164              0.567
 Vibration    17          0.915              1.120              0.525
 Vibration    18          0.947              1.055              0.468
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.870030D-91        -91.060466       -209.674471
 Total V=0       0.856814D+18         17.932887         41.291998
 Vib (Bot)       0.101112-104       -104.995196       -241.760373
 Vib (Bot)    1  0.536439D+01          0.729521          1.679783
 Vib (Bot)    2  0.335883D+01          0.526188          1.211594
 Vib (Bot)    3  0.279335D+01          0.446126          1.027242
 Vib (Bot)    4  0.163727D+01          0.214121          0.493032
 Vib (Bot)    5  0.133610D+01          0.125838          0.289752
 Vib (Bot)    6  0.130444D+01          0.115425          0.265776
 Vib (Bot)    7  0.903208D+00         -0.044212         -0.101802
 Vib (Bot)    8  0.808607D+00         -0.092262         -0.212442
 Vib (Bot)    9  0.718810D+00         -0.143386         -0.330158
 Vib (Bot)   10  0.687807D+00         -0.162533         -0.374247
 Vib (Bot)   11  0.561322D+00         -0.250788         -0.577460
 Vib (Bot)   12  0.519222D+00         -0.284647         -0.655424
 Vib (Bot)   13  0.490277D+00         -0.309559         -0.712785
 Vib (Bot)   14  0.442236D+00         -0.354346         -0.815912
 Vib (Bot)   15  0.384589D+00         -0.415004         -0.955581
 Vib (Bot)   16  0.294181D+00         -0.531385         -1.223559
 Vib (Bot)   17  0.278123D+00         -0.555763         -1.279690
 Vib (Bot)   18  0.256186D+00         -0.591445         -1.361853
 Vib (V=0)       0.995765D+04          3.998157          9.206096
 Vib (V=0)    1  0.588764D+01          0.769942          1.772856
 Vib (V=0)    2  0.389584D+01          0.590602          1.359910
 Vib (V=0)    3  0.333775D+01          0.523454          1.205296
 Vib (V=0)    4  0.221192D+01          0.344769          0.793860
 Vib (V=0)    5  0.192659D+01          0.284789          0.655750
 Vib (V=0)    6  0.189699D+01          0.278064          0.640266
 Vib (V=0)    7  0.153237D+01          0.185363          0.426815
 Vib (V=0)    8  0.145071D+01          0.161580          0.372052
 Vib (V=0)    9  0.137561D+01          0.138495          0.318895
 Vib (V=0)   10  0.135034D+01          0.130443          0.300357
 Vib (V=0)   11  0.125172D+01          0.097507          0.224518
 Vib (V=0)   12  0.122083D+01          0.086654          0.199529
 Vib (V=0)   13  0.120027D+01          0.079277          0.182542
 Vib (V=0)   14  0.116751D+01          0.067261          0.154875
 Vib (V=0)   15  0.113080D+01          0.053386          0.122925
 Vib (V=0)   16  0.108012D+01          0.033473          0.077075
 Vib (V=0)   17  0.107215D+01          0.030254          0.069664
 Vib (V=0)   18  0.106181D+01          0.026047          0.059975
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116680D+07          6.066996         13.969775
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000010965    0.000003526   -0.000010813
      2        6           0.000016793    0.000000254    0.000042509
      3        6          -0.000027443    0.000021782   -0.000034830
      4        6           0.000007155   -0.000024500    0.000006201
      5        6          -0.000004801    0.000003923   -0.000000200
      6        6          -0.000000189   -0.000008067   -0.000002143
      7        8           0.000002207    0.000001575   -0.000001639
      8        6          -0.000003080   -0.000005121   -0.000015391
      9        6          -0.000021396   -0.000008328   -0.000012893
     10        6           0.000016201    0.000007672    0.000018905
     11        6          -0.000003189    0.000000037    0.000011319
     12        1           0.000001910    0.000004236    0.000006469
     13        1           0.000002822    0.000002776    0.000009815
     14        1          -0.000001140    0.000003881    0.000001219
     15        1           0.000003819    0.000002861   -0.000007810
     16        1           0.000006388   -0.000011574   -0.000002855
     17        1           0.000000582   -0.000000013   -0.000001417
     18        1          -0.000002340   -0.000007148    0.000000758
     19        1           0.000001801   -0.000009880   -0.000001226
     20        1          -0.000001305   -0.000001896   -0.000004005
     21        1          -0.000000117    0.000001382    0.000002785
     22        1          -0.000003935    0.000008557    0.000000441
     23        1          -0.000002502    0.000009776    0.000000145
     24        1           0.000004269    0.000004902   -0.000005446
     25        1          -0.000001012    0.000001179   -0.000001464
     26        1          -0.000001853   -0.000000987   -0.000000963
     27        1          -0.000000612   -0.000000807    0.000002530
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042509 RMS     0.000010125
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171724D+03  0.741135D+01  0.556886D+01
      2   0.741135D+01  0.110800D+03  0.423266D+01
      3   0.556886D+01  0.423266D+01  0.113418D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.949342D+01  0.901611D+01 -0.311638D+01
      2   0.133990D+02 -0.117148D+02  0.166830D+02
      3   0.307354D+02 -0.445847D+02  0.199589D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.690571D+02 -0.462280D+02 -0.254906D+02
      2   0.598708D+02  0.408525D+02 -0.356203D+01
      3   0.918629D+01  0.537546D+01  0.290526D+02
      4  -0.439591D+02  0.998935D+02 -0.405489D+02
      5  -0.227105D+02 -0.461322D+02  0.248264D+02
      6  -0.237451D+02  0.136458D+02 -0.998371D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.232054D+01  0.146708D+01 -0.429477D+01  0.633217D+00  0.956868D+00
      2   0.146708D+01  0.845568D+00  0.383606D+01  0.956868D+00  0.310848D+01
      3  -0.429477D+01  0.383606D+01 -0.600568D+00  0.384348D+01  0.143598D+01
                 6             7             8             9            10 
      1   0.384348D+01 -0.457302D+01  0.388929D+01 -0.377416D+00  0.192922D+02
      2   0.143598D+01  0.388929D+01  0.209882D+01 -0.468344D+00 -0.219925D+01
      3  -0.118351D+01 -0.377416D+00 -0.468344D+00 -0.166608D+01  0.545197D+01
                11            12            13            14            15 
      1  -0.219925D+01  0.545197D+01 -0.584302D+01  0.117919D+01 -0.455620D+01
      2   0.155239D-01 -0.358553D+01  0.117919D+01 -0.465075D+01 -0.245421D+01
      3  -0.358553D+01  0.247617D+00 -0.455620D+01 -0.245421D+01  0.202536D+00
                16            17            18            19            20 
      1   0.168691D+02 -0.436374D+01  0.186145D+01 -0.403049D+02 -0.209620D+01
      2  -0.436374D+01 -0.233239D+01  0.343732D+00 -0.209620D+01 -0.420774D+01
      3   0.186145D+01  0.343732D+00  0.964644D+00 -0.467340D+01  0.113076D+01
                21            22            23            24            25 
      1  -0.467340D+01  0.367143D+01 -0.831949D+01  0.281254D+01 -0.782575D+01
      2   0.113076D+01 -0.831949D+01 -0.206602D+01 -0.674014D+00  0.235307D+01
      3  -0.649515D+00  0.281254D+01 -0.674014D+00  0.295120D+01 -0.868553D+00
                26            27            28            29            30 
      1   0.235307D+01 -0.868553D+00  0.604208D+02  0.626864D+01  0.562086D+01
      2  -0.924053D+00  0.283329D+01  0.626864D+01  0.363056D+01 -0.151292D+00
      3   0.283329D+01  0.366528D+01  0.562086D+01 -0.151292D+00  0.217739D+01
                31            32            33            34            35 
      1   0.126960D+02  0.760536D+01 -0.691207D+00  0.103380D+02 -0.813147D-01
      2   0.760536D+01  0.406692D+01  0.182850D-01 -0.813147D-01  0.817480D+00
      3  -0.691207D+00  0.182850D-01 -0.167673D+01  0.423505D+01 -0.177477D+01
                36            37            38            39            40 
      1   0.423505D+01 -0.588545D+02 -0.824081D+01 -0.669208D+01 -0.132520D+02
      2  -0.177477D+01 -0.824081D+01 -0.288724D+01  0.569826D-01 -0.572774D+01
      3  -0.191986D+01 -0.669208D+01  0.569826D-01 -0.821809D+00  0.155620D-01
                41            42            43            44            45 
      1  -0.572774D+01  0.155620D-01 -0.884275D+01  0.231284D-01 -0.342429D+01
      2  -0.313574D+01 -0.336059D+00  0.231284D-01 -0.936361D+00  0.255496D+01
      3  -0.336059D+00  0.290773D+01 -0.342429D+01  0.255496D+01  0.244939D+01
                46            47            48            49            50 
      1   0.414413D+02  0.810385D+01  0.644076D+01  0.992937D+01  0.214455D+01
      2   0.810385D+01  0.737280D+00  0.165525D+01  0.214455D+01  0.915435D+00
      3   0.644076D+01  0.165525D+01  0.698018D+00  0.244035D+01  0.225531D+00
                51            52            53            54            55 
      1   0.244035D+01  0.532917D+01  0.222749D+01  0.250883D+01 -0.350850D+02
      2   0.225531D+00  0.222749D+01  0.350829D+00 -0.112566D+01 -0.632264D+01
      3  -0.139552D+01  0.250883D+01 -0.112566D+01 -0.263478D+01 -0.598656D+01
                56            57            58            59            60 
      1  -0.632264D+01 -0.598656D+01 -0.135174D+02 -0.657466D+01 -0.163506D+01
      2  -0.215799D+01 -0.123332D+01 -0.657466D+01 -0.400302D+01 -0.217229D+01
      3  -0.123332D+01 -0.254650D+01 -0.163506D+01 -0.217229D+01 -0.608432D+00
                61            62            63            64            65 
      1  -0.195296D+02 -0.333406D+01 -0.614401D+01 -0.652435D+01  0.139411D+01
      2  -0.333406D+01 -0.138815D+01 -0.149957D+01  0.139411D+01  0.688768D+00
      3  -0.614401D+01 -0.149957D+01 -0.416264D+01 -0.329264D+01  0.404333D+01
                66            67            68            69            70 
      1  -0.329264D+01  0.126149D+01 -0.362049D+00  0.404193D+01 -0.746220D+01
      2   0.404333D+01 -0.362049D+00  0.264330D+01  0.327184D+01  0.405042D+01
      3   0.886497D-01  0.404193D+01  0.327184D+01 -0.126265D+01 -0.124742D+01
                71            72            73            74            75 
      1   0.405042D+01 -0.124742D+01 -0.640160D+01 -0.194545D+01 -0.154692D+01
      2   0.303126D+01 -0.490470D+00 -0.194545D+01  0.176723D+01 -0.455460D+00
      3  -0.490470D+00  0.146972D+01 -0.154692D+01 -0.455460D+00  0.286308D+01
                76            77            78            79            80 
      1  -0.192124D+01  0.237711D+01 -0.816619D+00  0.374169D+00 -0.207735D+00
      2   0.237711D+01  0.587616D+01  0.253493D+01 -0.207735D+00  0.221436D+01
      3  -0.816619D+00  0.253493D+01 -0.176890D+01  0.262931D+01 -0.247031D+01
                81            82            83            84            85 
      1   0.262931D+01  0.615646D+01  0.243123D+01  0.964833D+00  0.589700D+01
      2  -0.247031D+01  0.243123D+01  0.472119D+01  0.265262D+01  0.654098D+01
      3  -0.259755D+01  0.964833D+00  0.265262D+01 -0.334488D+01  0.188116D+01
                86            87            88            89            90 
      1   0.654098D+01  0.188116D+01  0.721777D+01  0.487232D+01 -0.355664D+01
      2  -0.127195D+01  0.457227D+00  0.487232D+01  0.385215D+00 -0.528377D-01
      3   0.457227D+00  0.271667D+00 -0.355664D+01 -0.528377D-01  0.276685D+00
                91            92            93            94            95 
      1   0.894832D+01  0.100781D+01 -0.291253D+01  0.223299D+01 -0.146038D+01
      2   0.100781D+01 -0.230582D+01 -0.964791D-01 -0.146038D+01 -0.399045D+01
      3  -0.291253D+01 -0.964791D-01 -0.283068D+01 -0.587713D+00 -0.125717D+01
                96            97            98            99           100 
      1  -0.587713D+00 -0.651119D+00 -0.392434D+00 -0.327012D+01  0.111393D+02
      2  -0.125717D+01 -0.392434D+00 -0.622085D+00  0.221339D+01  0.262289D+01
      3   0.243440D+01 -0.327012D+01  0.221339D+01  0.119311D+01  0.239646D+01
               101           102           103           104           105 
      1   0.262289D+01  0.239646D+01  0.119149D+01  0.149304D+01  0.292844D+00
      2   0.202335D+01  0.626255D+00  0.149304D+01  0.655398D+00  0.227461D+00
      3   0.626255D+00  0.145937D+01  0.292844D+00  0.227461D+00  0.351440D+00
               106           107           108           109           110 
      1   0.537933D+00  0.206619D+00  0.106415D+01 -0.215203D+00  0.529956D+00
      2   0.206619D+00 -0.112830D+00  0.626544D+00  0.529956D+00 -0.973125D+00
      3   0.106415D+01  0.626544D+00  0.100690D+01  0.972263D+00 -0.427222D+00
               111           112           113           114           115 
      1   0.972263D+00  0.272512D+00 -0.142282D+00  0.647202D-01  0.106595D+01
      2  -0.427222D+00 -0.142282D+00  0.719620D+00  0.974397D+00  0.382757D-01
      3  -0.213779D+01  0.647202D-01  0.974397D+00  0.140893D+01 -0.201538D+00
               116           117           118           119           120 
      1   0.382757D-01 -0.201538D+00 -0.291279D+00 -0.415357D+00 -0.643023D+00
      2   0.193948D+01  0.213382D+01 -0.415357D+00  0.288614D+00 -0.125762D+00
      3   0.213382D+01  0.743612D+01 -0.643023D+00 -0.125762D+00 -0.730340D-01
               121           122           123           124           125 
      1  -0.196347D+01  0.365599D+00 -0.301529D-01 -0.120112D+01  0.614367D-01
      2   0.365599D+00 -0.761768D+00 -0.117261D+01  0.614367D-01 -0.128061D+01
      3  -0.301529D-01 -0.117261D+01 -0.171302D+01  0.424761D+00 -0.116531D+01
               126           127           128           129           130 
      1   0.424761D+00 -0.198707D+01  0.168471D+01 -0.838353D-01  0.331607D+00
      2  -0.116531D+01  0.168471D+01 -0.429392D+01 -0.246259D+00 -0.195094D+01
      3  -0.683847D+01 -0.838353D-01 -0.246259D+00 -0.293886D+00 -0.289029D+00
               131           132           133           134           135 
      1  -0.195094D+01 -0.289029D+00  0.207304D+00 -0.607366D+00  0.219831D+00
      2   0.811656D+01  0.399942D-01 -0.607366D+00  0.153641D+01  0.112765D+01
      3   0.399942D-01  0.894652D+00  0.219831D+00  0.112765D+01  0.277493D+00
               136           137           138           139           140 
      1   0.301594D+01  0.156808D+01 -0.197209D+01 -0.234815D+00  0.833590D+00
      2   0.156808D+01  0.156473D+01 -0.145568D+01  0.833590D+00  0.212039D+01
      3  -0.197209D+01 -0.145568D+01  0.252472D+01 -0.102974D+01 -0.147433D+01
               141           142           143           144           145 
      1  -0.102974D+01 -0.444882D+01 -0.245344D+01  0.285982D+01  0.532756D+01
      2  -0.147433D+01 -0.245344D+01 -0.283745D+01  0.242545D+01 -0.240195D+01
      3   0.124412D+01  0.285982D+01  0.242545D+01 -0.453172D+01  0.325194D+01
               146           147           148           149           150 
      1  -0.240195D+01  0.325194D+01 -0.132572D+01  0.151411D+01 -0.131445D+01
      2   0.248793D+01 -0.217307D+01  0.151411D+01 -0.235299D+01  0.141643D+01
      3  -0.217307D+01  0.330944D+01 -0.131445D+01  0.141643D+01 -0.124642D+01
               151           152           153           154           155 
      1   0.227918D+01 -0.166204D+01  0.235355D+01 -0.128547D+01 -0.144314D+01
      2  -0.166204D+01  0.140241D+01 -0.185265D+01 -0.144314D+01 -0.245387D+01
      3   0.235355D+01 -0.185265D+01  0.371777D+01  0.112652D+00 -0.415622D+00
               156           157           158           159           160 
      1   0.112652D+00 -0.124487D+01 -0.142376D+01 -0.426050D+00 -0.480907D+00
      2  -0.415622D+00 -0.142376D+01 -0.665662D+01 -0.417138D+00 -0.734582D+00
      3  -0.557875D+00 -0.426050D+00 -0.417138D+00 -0.118637D+01 -0.297845D+00
               161           162           163           164           165 
      1  -0.734582D+00 -0.297845D+00 -0.373899D+01  0.799593D+00  0.185908D+01
      2  -0.259803D+01 -0.798600D+00  0.799593D+00 -0.113912D+01 -0.281752D+00
      3  -0.798600D+00 -0.790908D+00  0.185908D+01 -0.281752D+00 -0.246578D+01
               166           167           168           169           170 
      1   0.198144D+01 -0.106986D+01 -0.657544D+00  0.161196D+01 -0.564048D+00
      2  -0.106986D+01  0.737218D+00  0.288606D+00 -0.564048D+00  0.666084D+00
      3  -0.657544D+00  0.288606D+00  0.165540D+01 -0.206201D+01  0.344749D+00
               171           172           173           174           175 
      1  -0.206201D+01 -0.295223D+00 -0.658301D+00 -0.666414D-01 -0.139335D+01
      2   0.344749D+00 -0.658301D+00 -0.197155D+01 -0.123997D+01  0.380965D+00
      3   0.389287D+01 -0.666414D-01 -0.123997D+01 -0.112792D+01 -0.671730D-01
               176           177           178           179           180 
      1   0.380965D+00 -0.671730D-01 -0.229202D+00 -0.218257D+00  0.293148D+00
      2  -0.594224D+01 -0.282722D+01 -0.218257D+00 -0.276556D+01 -0.205422D+01
      3  -0.282722D+01 -0.214934D+01  0.293148D+00 -0.205422D+01 -0.253966D+01
               181           182           183           184           185 
      1   0.852760D+01 -0.294953D+01  0.162996D+01 -0.226710D+01  0.208645D+01
      2  -0.294953D+01  0.178038D+01 -0.813748D+00  0.208645D+01 -0.188043D+01
      3   0.162996D+01 -0.813748D+00  0.145066D+01 -0.750249D+00  0.189312D+00
               186           187           188           189           190 
      1  -0.750249D+00  0.551626D+01 -0.191177D+01  0.176795D+01  0.274729D+01
      2   0.189312D+00 -0.191177D+01  0.115818D+01 -0.663988D+00  0.699022D+00
      3  -0.457607D+00  0.176795D+01 -0.663988D+00  0.147762D+01 -0.130967D+01
               191           192           193           194           195 
      1   0.699022D+00 -0.130967D+01  0.209036D+01  0.779277D+00 -0.178996D+01
      2   0.629684D+00 -0.946072D+00  0.779277D+00  0.202236D+01 -0.167458D+01
      3  -0.946072D+00  0.152987D+01 -0.178996D+01 -0.167458D+01  0.249645D+01
               196           197           198           199           200 
      1  -0.179768D+01 -0.980517D+00  0.239288D+01  0.113850D+01  0.756193D+00
      2  -0.980517D+00 -0.181630D+01  0.139378D+01  0.756193D+00  0.112295D+00
      3   0.239288D+01  0.139378D+01 -0.430850D+01  0.128156D+01 -0.111198D+00
               201           202           203           204           205 
      1   0.128156D+01  0.153390D+01 -0.950984D+00  0.249118D+00  0.178774D+01
      2  -0.111198D+00 -0.950984D+00  0.642498D+00  0.107435D+01  0.406777D+00
      3  -0.473633D+00  0.249118D+00  0.107435D+01  0.155553D+01 -0.359755D+00
               206           207           208           209           210 
      1   0.406777D+00 -0.359755D+00 -0.790758D+00 -0.515183D+00 -0.891830D+00
      2   0.137751D+01  0.151210D+01 -0.515183D+00 -0.766260D-01 -0.415552D-01
      3   0.151210D+01  0.434728D+01 -0.891830D+00 -0.415552D-01  0.512348D-01
               211           212           213           214           215 
      1  -0.960949D+00  0.165189D+00 -0.443841D+00 -0.165582D+01 -0.313831D+00
      2   0.165189D+00 -0.115554D+01 -0.141863D+01 -0.313831D+00 -0.165111D+01
      3  -0.443841D+00 -0.141863D+01 -0.249187D+01 -0.220415D+00 -0.214522D+01
               216           217           218           219           220 
      1  -0.220415D+00 -0.800687D+00  0.587359D+00  0.185946D+00  0.212396D+01
      2  -0.214522D+01  0.587359D+00  0.114627D+01  0.308833D+00 -0.143308D+00
      3  -0.687606D+01  0.185946D+00  0.308833D+00  0.100639D+01 -0.700643D+00
               221           222           223           224           225 
      1  -0.143308D+00 -0.700643D+00  0.973746D+00  0.133265D+00  0.109454D+00
      2   0.709132D+01  0.167037D+01  0.133265D+00  0.529628D+00  0.657845D+00
      3   0.167037D+01  0.184596D+01  0.109454D+00  0.657845D+00  0.712283D+00
               226           227           228           229           230 
      1   0.647901D+00 -0.932710D+00  0.921062D+00 -0.122377D+01  0.610141D+00
      2  -0.932710D+00  0.115379D+01 -0.431320D+00  0.610141D+00 -0.105579D+01
      3   0.921062D+00 -0.431320D+00  0.269396D+01 -0.163286D+00  0.154506D+01
               231           232           233           234           235 
      1  -0.163286D+00  0.265947D+01 -0.474231D+00  0.646199D+00 -0.990758D+01
      2   0.154506D+01 -0.474231D+00  0.148317D+01 -0.138538D+01  0.200000D+00
      3  -0.255465D+01  0.646199D+00 -0.138538D+01  0.488128D+01  0.327664D+01
               236           237           238           239           240 
      1   0.200000D+00  0.327664D+01 -0.699023D+00 -0.906950D+00  0.307221D+00
      2  -0.112617D+01 -0.787880D-01 -0.906950D+00  0.207664D+00  0.508449D+00
      3  -0.787880D-01 -0.217651D+01  0.307221D+00  0.508449D+00 -0.525008D+00
               241           242           243 
      1   0.193018D+01  0.372700D-01 -0.133637D+01
      2   0.372700D-01  0.274101D+00 -0.219984D+00
      3  -0.133637D+01 -0.219984D+00  0.109779D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.616962D+01  0.956944D+01  0.543173D+01  0.896873D+01  0.931527D+01
      2  -0.834512D+01  0.237839D+01  0.752496D+01  0.685156D+01  0.291324D+00
      3  -0.289035D+01 -0.775858D+01  0.200980D+01 -0.395083D+00 -0.674262D+01
                 6             7             8             9            10 
      1  -0.209202D+01  0.580582D+01  0.480390D+01 -0.504598D+01  0.449642D+01
      2  -0.756393D+01  0.349035D+01 -0.766918D+01 -0.229126D+01  0.188443D+02
      3  -0.937340D+01  0.811506D+00 -0.114354D+02  0.115030D+01  0.927559D+01
                11            12            13            14            15 
      1  -0.512430D+01 -0.113579D+00 -0.655798D+01 -0.614088D+01 -0.508355D+01
      2  -0.837614D+01  0.460303D+01 -0.116269D+02 -0.383039D+01  0.764672D+00
      3  -0.201745D+01  0.772770D+01  0.723901D+01  0.125564D+02  0.985786D+01
                16            17            18            19            20 
      1   0.172982D+01  0.385152D+01 -0.383019D+00  0.223318D+01  0.290070D+01
      2   0.442038D+01  0.188117D+01  0.281320D+01 -0.276026D+02 -0.170168D+01
      3   0.992806D+01  0.104735D+02 -0.113024D+01 -0.157465D+02 -0.385997D+01
                21            22            23            24            25 
      1  -0.134133D+01  0.700532D+01  0.400369D+01 -0.232420D+01 -0.371393D+01
      2  -0.467545D+00  0.120093D+00 -0.660085D+01  0.447909D+01 -0.160208D+02
      3  -0.334513D+01  0.642587D+01 -0.596534D+01  0.252663D+01 -0.341068D+01
                26            27            28            29            30 
      1   0.397562D+01 -0.400431D+01 -0.843683D+01  0.438812D+00 -0.506166D+00
      2   0.255566D+01  0.349177D+00  0.310624D+02  0.555228D+01 -0.138717D+01
      3   0.367742D+00 -0.193334D+01  0.168176D+02  0.827266D+01  0.399185D-01
                31            32            33            34            35 
      1   0.524079D+01 -0.129064D+01 -0.292867D+01 -0.255856D+01  0.179511D+01
      2   0.131672D+02  0.344048D+01 -0.100396D+00 -0.204073D+02 -0.199825D+01
      3   0.364206D+02  0.966482D+01  0.291171D+01 -0.740171D+00 -0.298090D+00
                36            37            38            39            40 
      1   0.318051D+01  0.824361D+01 -0.132739D+01  0.915174D+00 -0.655216D+01
      2  -0.464392D+00 -0.222724D+02 -0.540437D+01  0.319442D+01 -0.125177D+02
      3   0.548077D+00 -0.232070D+02 -0.114176D+02 -0.743442D+00 -0.361858D+01
                41            42            43            44            45 
      1   0.228657D+00 -0.827264D+00  0.782207D+01  0.200930D+01 -0.379994D+00
      2  -0.380520D+01 -0.525695D+01 -0.138115D+02 -0.650506D+01 -0.115859D+02
      3  -0.402374D+01  0.161167D+01  0.124684D+01  0.289488D+01  0.370596D+01
                46            47            48            49            50 
      1  -0.617155D+01  0.818740D+01 -0.790801D-01  0.451358D+01 -0.657717D+01
      2   0.504361D+01  0.498041D+01 -0.662424D+01  0.386961D+01 -0.288443D+00
      3   0.151239D+02  0.154335D+02  0.104625D+01  0.244310D+02  0.587003D+01
                51            52            53            54            55 
      1  -0.135425D+02 -0.179881D-01 -0.287093D+01  0.924544D+01  0.371310D+01
      2  -0.105223D+01 -0.175180D+02  0.787058D+00  0.822233D+01 -0.549045D+01
      3  -0.232084D+01  0.101306D+00  0.410621D+00 -0.116330D+01 -0.120049D+02
                56            57            58            59            60 
      1  -0.152999D+01 -0.121154D+01  0.250215D+01  0.301065D+01  0.337224D+00
      2  -0.101110D+01  0.163204D+02 -0.472623D+01  0.266979D+01  0.598260D+01
      3  -0.180520D+02 -0.259274D+01 -0.142383D+02 -0.138953D+02 -0.452333D+01
                61            62            63            64            65 
      1   0.105366D+01  0.403635D+01 -0.307825D+01 -0.429254D+01  0.503527D+01
      2   0.256265D+01  0.226298D+01  0.127440D+02 -0.150727D+02  0.149423D+02
      3  -0.570707D+01 -0.879488D+01 -0.400156D+01  0.796536D+00 -0.595935D+01
                66            67            68            69            70 
      1  -0.503857D+01  0.702004D+01  0.208019D+01 -0.708219D+01 -0.735354D+01
      2  -0.105690D+01  0.140486D+02  0.116971D+02  0.191519D-01 -0.128297D+02
      3  -0.105188D+02  0.418575D+01 -0.100032D+02 -0.173135D+02 -0.113383D+02
                71            72            73            74            75 
      1  -0.133091D+01  0.378639D+01 -0.147539D+01  0.488244D+01 -0.577534D+01
      2   0.309798D+01  0.588422D+01  0.656492D+01  0.220499D+01  0.131086D+02
      3  -0.161791D+02  0.320480D+01 -0.207550D+01 -0.123363D+02  0.424602D+00
                76            77            78            79            80 
      1   0.198227D+01  0.263526D+01  0.484917D+01 -0.450982D+01  0.949019D+01
      2   0.350923D+00  0.415285D+01 -0.546633D+01  0.552254D+01 -0.774808D+01
      3  -0.593803D+01 -0.138158D+02 -0.961932D+01  0.201606D+01 -0.850604D+01
                81            82            83            84            85 
      1  -0.518081D-01 -0.324430D+01 -0.120552D+02  0.839602D+01 -0.132632D+02
      2  -0.112936D+02  0.633056D+01  0.534009D+01 -0.334366D+01  0.791777D+01
      3   0.122885D+02  0.360462D+00 -0.893311D+01 -0.414648D+01  0.350210D+01
                86            87            88            89            90 
      1   0.621055D+00 -0.416338D+01  0.802275D+01  0.221717D+01  0.416200D+00
      2   0.620427D+01  0.227013D+01 -0.391055D+01  0.342640D+01 -0.297798D+01
      3   0.150266D+02  0.512222D+01 -0.994204D+00  0.104851D+02 -0.100244D+02
                91            92            93            94            95 
      1   0.204257D+01 -0.613132D+01  0.316054D+01  0.201504D+01 -0.690241D+01
      2   0.277260D+01 -0.106943D+01  0.182275D+02  0.128453D+00  0.890755D+01
      3   0.632847D+01 -0.102603D+02 -0.189396D+01 -0.109289D+01 -0.150700D+02
                96            97            98            99           100 
      1  -0.905149D+01 -0.500992D+00  0.228793D+01  0.383161D+01 -0.909944D+00
      2  -0.101886D+02  0.968061D+01 -0.803528D+01  0.198507D-01 -0.410467D+01
      3  -0.488638D+01 -0.138640D+01 -0.450741D+00  0.589739D+01  0.702616D+01
               101           102           103           104           105 
      1   0.192355D+01 -0.204285D+01  0.374601D+00  0.751903D-01 -0.146892D+01
      2  -0.364070D+00  0.532349D+01 -0.642396D+00 -0.595916D+00  0.109203D+01
      3  -0.637823D+01  0.110069D+01 -0.301400D+00 -0.104428D+00  0.483837D+00
               106           107           108           109           110 
      1  -0.909237D+00  0.529196D-03 -0.655839D+00 -0.756453D+00 -0.167986D+01
      2   0.940031D+00  0.131197D+01  0.228604D+01  0.415392D+01 -0.168897D+01
      3   0.290862D+00  0.404571D+00 -0.480574D+00 -0.222011D+01  0.242221D+01
               111           112           113           114           115 
      1   0.270650D+01 -0.714876D+00 -0.727142D+00 -0.211963D+01  0.647366D+00
      2  -0.651692D+01 -0.806557D+00  0.321454D+01  0.369854D+01 -0.583117D+01
      3   0.236913D+01  0.247149D+01 -0.155588D+01 -0.233038D+01  0.226974D+01
               116           117           118           119           120 
      1   0.207576D+01 -0.755043D+01  0.619935D+00  0.434059D+00  0.666524D-01
      2   0.549191D+01  0.207757D+02 -0.193858D+01 -0.503819D+00  0.621676D+00
      3  -0.431620D+01 -0.613491D+01  0.494832D+00 -0.118634D+01 -0.280134D+00
               121           122           123           124           125 
      1   0.989857D+00  0.202430D+01  0.576980D+00 -0.246633D+00  0.487873D+01
      2  -0.183188D+01 -0.627571D+00 -0.183838D+01 -0.434642D+01 -0.950954D+00
      3   0.179169D+01  0.503047D+00  0.885607D+00 -0.137491D+00  0.497379D+00
               126           127           128           129           130 
      1   0.306647D+01 -0.689201D+00  0.338170D+01  0.218398D+01  0.177597D+01
      2  -0.604272D+01 -0.129617D+01  0.412450D+00  0.457027D+00 -0.434327D+00
      3   0.139324D+01 -0.913220D+01  0.954127D+01  0.405347D+00  0.948292D+01
               131           132           133           134           135 
      1  -0.503631D+01 -0.494924D+01 -0.883977D-01 -0.221315D+01 -0.173400D+01
      2  -0.132599D+01  0.215002D+00 -0.666609D+00  0.132637D+01  0.567334D+00
      3  -0.177674D+02 -0.444300D+00  0.223994D+01 -0.420053D+01 -0.150863D+01
               136           137           138           139           140 
      1   0.327937D+01  0.147142D+01 -0.574866D+01  0.163698D+01  0.168947D+01
      2  -0.331964D+00 -0.152344D+01  0.470835D+01 -0.167315D+01 -0.198355D+01
      3   0.391870D+01 -0.202715D+01 -0.129772D+01  0.356142D+00 -0.285465D+01
               141           142           143           144           145 
      1  -0.268414D+01 -0.528111D+01 -0.742110D+00  0.932398D+01  0.180599D+01
      2   0.211633D+01 -0.245466D+00  0.259506D+01 -0.613952D+01 -0.296029D+01
      3   0.409049D+00 -0.414035D+01  0.143993D+01  0.135641D+01 -0.428460D+01
               146           147           148           149           150 
      1   0.812697D+00  0.323887D+01 -0.148162D+00 -0.135035D+01 -0.166244D+01
      2  -0.937085D+00  0.350634D+01  0.170007D+01  0.539337D+00 -0.274491D+00
      3  -0.276876D+01 -0.648982D+00  0.180267D+01  0.250778D+01  0.751204D-01
               151           152           153           154           155 
      1   0.131693D+01  0.747655D+00  0.414224D+01 -0.217753D+01 -0.475182D+01
      2  -0.251728D+01 -0.412724D+00  0.368528D+01  0.240118D+01  0.174694D+01
      3  -0.289319D+01 -0.287993D+00 -0.645477D+00  0.708753D+01  0.570303D+01
               156           157           158           159           160 
      1  -0.296797D+01 -0.326236D+01 -0.102873D+02 -0.540164D+01 -0.197853D+01
      2   0.711214D-01  0.141249D+01  0.278216D+01 -0.156594D-02 -0.955413D+00
      3   0.802158D+00  0.742183D+01  0.133640D+02  0.137318D+01  0.337215D+01
               161           162           163           164           165 
      1  -0.354523D+01 -0.380813D+01  0.648987D+01 -0.463524D+01 -0.437496D+01
      2   0.414327D+00 -0.153036D+00  0.125019D+02 -0.245364D+01 -0.533182D+01
      3   0.583663D+01  0.204928D+01  0.590642D+01 -0.104562D+01 -0.324552D+01
               166           167           168           169           170 
      1  -0.455811D+01  0.330283D+01  0.157241D+01 -0.471013D+01  0.376263D+01
      2  -0.594225D+01  0.243797D+01  0.328478D+01 -0.865100D+01  0.181946D+01
      3   0.952939D-01  0.838142D+00  0.112445D+01 -0.320916D+01  0.161556D+01
               171           172           173           174           175 
      1   0.674944D+01  0.505678D+00  0.409052D+00 -0.108913D+01  0.479382D-01
      2   0.833236D+01 -0.184862D+01 -0.469260D+01 -0.276558D+01 -0.272922D+01
      3   0.333013D+01  0.429774D+01  0.631437D+01  0.410330D+01  0.326592D+01
               176           177           178           179           180 
      1   0.226216D+01 -0.288382D+01  0.625051D+00  0.149770D+01 -0.257451D+01
      2  -0.982086D+01 -0.739199D+01 -0.113144D+01 -0.722643D+01 -0.796311D+01
      3   0.193228D+02  0.973765D+01  0.233504D+01  0.100885D+02  0.689103D+01
               181           182           183           184           185 
      1   0.456362D+01 -0.207872D+01  0.355316D+01 -0.248417D+01  0.129255D+01
      2   0.112703D+02 -0.506237D+01  0.931269D+01 -0.435036D+01  0.191611D+01
      3  -0.684280D+00 -0.556854D+01  0.849312D+00 -0.229305D+01  0.480067D+01
               186           187           188           189           190 
      1  -0.185120D+01  0.291937D+01 -0.262982D+00  0.274618D+01 -0.239399D+01
      2  -0.324006D+01  0.739952D+01 -0.313586D+01  0.741800D+01 -0.181475D+01
      3   0.415425D+00  0.150330D+01 -0.289101D+01  0.293008D+00 -0.401861D+01
               191           192           193           194           195 
      1  -0.237582D+01  0.259784D+01 -0.229706D+01 -0.611328D+01  0.362434D+01
      2  -0.240936D+01  0.505207D+01 -0.281337D+01 -0.528214D+01  0.750311D+01
      3  -0.391090D+01  0.455558D+01 -0.285424D+01 -0.906454D+01  0.717110D+01
               196           197           198           199           200 
      1   0.351747D+01  0.617826D+01 -0.586902D+01 -0.586955D-01 -0.324486D+00
      2   0.388049D+01  0.403663D+01 -0.126326D+02  0.457745D+00  0.293923D+00
      3   0.458280D+01  0.825072D+01 -0.684656D+01  0.516891D+00  0.547686D+00
               201           202           203           204           205 
      1   0.447455D+00 -0.418325D+01 -0.527281D+00 -0.229675D+01  0.149525D+01
      2  -0.218053D+00 -0.136859D+01 -0.145695D+01 -0.663266D+00 -0.292450D+01
      3   0.771269D+00  0.245570D+01 -0.617538D-01  0.109469D+00  0.190235D+01
               206           207           208           209           210 
      1   0.200403D+01 -0.336888D+01  0.891277D+00 -0.411155D+00  0.152537D-01
      2   0.185317D+00 -0.241720D+01  0.105567D+01 -0.462904D-01  0.624907D+00
      3   0.768977D+00 -0.103762D+00 -0.152628D+01 -0.714239D+00 -0.453129D+00
               211           212           213           214           215 
      1  -0.189409D+01  0.137473D+01 -0.187460D+00  0.678466D+00  0.417256D+01
      2  -0.922515D-01  0.291412D+01  0.458067D+01 -0.378009D+01  0.393636D+01
      3   0.344791D+01 -0.179537D+01 -0.277572D+01 -0.547281D+00 -0.333782D+01
               216           217           218           219           220 
      1  -0.165324D+00  0.996613D-02  0.243391D+01  0.328104D+00 -0.463326D+00
      2   0.123081D+02 -0.136174D+01 -0.239469D+01 -0.297961D+01 -0.630548D+00
      3  -0.457062D+01  0.236155D+01  0.414034D+01  0.124873D+01  0.209698D+01
               221           222           223           224           225 
      1   0.118766D+02  0.113178D+01  0.143045D+01  0.101764D+01  0.488647D+00
      2  -0.711560D+01 -0.504258D+01 -0.878388D+00 -0.215181D+01 -0.314755D+01
      3   0.247409D+02  0.570559D+01  0.155072D+01  0.156679D+01  0.232709D+01
               226           227           228           229           230 
      1  -0.869419D+00  0.264322D+01 -0.352332D+01  0.162023D+00 -0.305685D+01
      2  -0.683343D+01  0.358035D+01 -0.114887D+02  0.298733D+01 -0.740695D+01
      3  -0.245778D+01  0.263494D+01 -0.147547D+01  0.182317D+01 -0.308698D+01
               231           232           233           234           235 
      1   0.391513D+01 -0.209108D+01  0.419861D+01 -0.543087D+01 -0.124912D+01
      2   0.101688D+02 -0.710678D+01  0.599820D+01 -0.190851D+02  0.159918D+01
      3   0.545059D+01 -0.110577D+01  0.417948D+01 -0.443866D+01 -0.376868D+01
               236           237           238           239           240 
      1  -0.209841D+01  0.771216D+00 -0.641534D+00  0.101223D+00 -0.121463D+00
      2   0.322818D+00  0.623859D+01 -0.368432D+00 -0.102717D+01  0.190586D+01
      3  -0.622226D+01  0.107155D+01 -0.211539D+01  0.319118D+00  0.139874D+01
               241           242           243 
      1   0.599769D+00  0.137092D+01 -0.760602D+00
      2  -0.233261D+00  0.999636D+00 -0.199449D+01
      3   0.145939D+01  0.141738D+01 -0.145319D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.839118D+01  0.499837D+01 -0.642927D+01  0.610270D+00  0.609010D+01
      2   0.245698D+01 -0.191268D+02 -0.539422D+01 -0.134826D+02 -0.169232D+02
      3  -0.108482D+02  0.141284D+02  0.118235D+02  0.128723D+02  0.108331D+02
      4   0.112019D+02 -0.493109D+01  0.224672D+02 -0.196919D+01  0.545440D+01
      5  -0.180940D+02  0.183183D+02 -0.139382D+02  0.174717D+02  0.426226D+01
      6   0.131405D+02 -0.125049D+02  0.121066D+02 -0.828430D+01 -0.443479D+01
                 6             7             8             9            10 
      1   0.205524D+02 -0.595049D+01  0.211534D+02 -0.258755D+01 -0.283555D+01
      2  -0.135711D+02 -0.746957D+01 -0.167778D+02  0.737467D+01  0.745852D+01
      3  -0.698131D+01  0.134201D+02 -0.437563D+01 -0.478712D+01 -0.462296D+01
      4  -0.590227D+01  0.231455D+02 -0.796987D+01  0.400123D+01 -0.134500D+02
      5   0.624561D+01 -0.132230D+02  0.907444D+01 -0.749501D+01  0.126699D+02
      6   0.515829D+01  0.106587D+02  0.399181D+01  0.433842D+00 -0.126039D+02
                11            12            13            14            15 
      1  -0.175796D+01  0.813599D+01 -0.465007D+01 -0.103739D+02 -0.215350D+02
      2   0.463029D+01 -0.395119D+00  0.307028D+01  0.130211D+02  0.749520D+01
      3  -0.287234D+01 -0.774087D+01  0.157979D+01 -0.264720D+01  0.140398D+02
      4   0.174075D+00 -0.209196D+02  0.209163D+01 -0.263280D+02 -0.606567D+01
      5  -0.172618D+02 -0.337050D+01 -0.193189D+02 -0.159042D+02  0.167440D+01
      6   0.884756D+01 -0.400123D+01 -0.190312D+01 -0.179096D+01 -0.763845D+01
                16            17            18            19            20 
      1   0.790515D+01 -0.204633D+02 -0.290439D+01  0.419044D+02  0.105660D+02
      2   0.584490D+01  0.106182D+02 -0.293617D+01 -0.409211D+02 -0.150153D+02
      3  -0.137500D+02  0.984504D+01  0.584056D+01 -0.983242D+00  0.444930D+01
      4  -0.302719D+02 -0.105468D+01 -0.433933D-01  0.798615D+01 -0.105505D+02
      5  -0.588353D+01  0.124673D+01  0.244035D+01  0.168447D+02  0.533242D+01
      6  -0.466771D+01 -0.448334D+01  0.165337D+01  0.108678D+02 -0.384436D+00
                21            22            23            24            25 
      1   0.434860D+01  0.194579D+02  0.690512D+01  0.710106D+01 -0.204895D+00
      2  -0.359934D+01 -0.188299D+02 -0.126061D+02  0.266622D+01 -0.515661D+01
      3  -0.749261D+00 -0.628012D+00  0.570102D+01 -0.976727D+01  0.536151D+01
      4   0.589882D+01 -0.307982D+02 -0.552080D+01 -0.308216D+01  0.144037D+02
      5   0.449230D+01  0.552019D+01  0.570598D+01  0.425620D+01  0.398911D+01
      6   0.332585D+01  0.780159D+01  0.700268D+01  0.746342D+00  0.316906D+01
                26            27            28            29            30 
      1   0.948777D+01  0.145449D+02 -0.126265D+03 -0.129722D+02 -0.587385D+01
      2  -0.190565D+01  0.597371D+01  0.861050D+02  0.813476D+01  0.614550D+01
      3  -0.758212D+01 -0.205186D+02  0.401604D+02  0.483746D+01 -0.271652D+00
      4  -0.539324D+01  0.879774D+01 -0.143673D+02 -0.113437D+02  0.221647D+00
      5   0.525472D+01  0.605288D+01 -0.383090D+02 -0.213320D+01 -0.136422D+02
      6  -0.434248D+00 -0.222961D+01 -0.177930D+02 -0.620148D+01  0.727158D-01
                31            32            33            34            35 
      1  -0.367313D+02 -0.267143D+02  0.363636D+01 -0.321950D+02 -0.155279D+00
      2   0.270049D+02  0.235208D+02 -0.284631D+01  0.191740D+02 -0.198636D+01
      3   0.972643D+01  0.319355D+01 -0.790050D+00  0.130210D+02  0.214164D+01
      4  -0.103096D+02 -0.108947D+02  0.136861D+01 -0.693583D+01  0.149488D+01
      5  -0.952178D+01 -0.512918D+01 -0.457823D+00 -0.118099D+02  0.180781D+01
      6  -0.589681D+01 -0.900569D+01  0.473620D+01 -0.190897D+01  0.112004D+01
                36            37            38            39            40 
      1  -0.117847D+02  0.180353D+03  0.302748D+02  0.203203D+02  0.327765D+02
      2   0.177604D+01 -0.110991D+03 -0.183866D+02 -0.136119D+02 -0.169570D+02
      3   0.100087D+02 -0.693622D+02 -0.118882D+02 -0.670839D+01 -0.158195D+02
      4   0.891143D+00  0.337336D+02  0.183907D+02 -0.705117D-02  0.325437D+02
      5   0.108352D+01  0.589286D+02  0.438203D+01  0.132736D+02  0.422958D+01
      6  -0.501517D+01  0.200662D+02  0.586872D+01 -0.177443D+00  0.104970D+02
                41            42            43            44            45 
      1   0.594511D+01  0.924244D+01  0.100488D+02  0.903349D+01  0.129004D+02
      2   0.174052D+01  0.213823D+01 -0.123173D+02 -0.327326D+01 -0.213737D+01
      3  -0.768563D+01 -0.113807D+02  0.226855D+01 -0.576022D+01 -0.107630D+02
      4   0.779190D+01  0.325804D+01 -0.762722D+01 -0.265894D+01 -0.968924D+01
      5   0.338246D+01 -0.117111D+02  0.167132D+02 -0.853166D+01 -0.108881D+02
      6   0.139697D+01  0.412086D+01 -0.143173D+00  0.199978D+01 -0.956966D+01
                46            47            48            49            50 
      1  -0.169647D+03 -0.322809D+02 -0.380937D+02 -0.524486D+02 -0.177683D+02
      2   0.941790D+02  0.150226D+02  0.204836D+02  0.275739D+02  0.121919D+02
      3   0.754678D+02  0.172584D+02  0.176101D+02  0.248748D+02  0.557641D+01
      4  -0.541208D+02 -0.262054D+02 -0.111604D+02 -0.111940D+02 -0.100243D+02
      5  -0.744143D+02 -0.150738D+02 -0.270725D+02 -0.275808D+02 -0.329158D+01
      6  -0.197575D+02 -0.250229D+01 -0.573103D+01  0.102261D+00 -0.576074D+01
                51            52            53            54            55 
      1  -0.115026D+02 -0.438085D+02 -0.120920D+02 -0.175237D+02  0.185207D+03
      2   0.989547D+01  0.157099D+02  0.112971D+01  0.145306D+02 -0.976044D+02
      3   0.160711D+01  0.280986D+02  0.109623D+02  0.299315D+01 -0.876029D+02
      4  -0.163285D+01 -0.217130D+02  0.108471D+01  0.499412D+01  0.475475D+02
      5   0.449051D+01 -0.248314D+02  0.560757D+01  0.174215D+02  0.703276D+02
      6   0.206492D+01  0.310535D+01 -0.491029D+01 -0.495210D+01  0.110252D+02
                56            57            58            59            60 
      1   0.316328D+02  0.383437D+02  0.578231D+02  0.292997D+02  0.559408D+01
      2  -0.122359D+02 -0.247190D+02 -0.254715D+02 -0.705953D+01 -0.142603D+01
      3  -0.193968D+02 -0.136248D+02 -0.323516D+02 -0.222401D+02 -0.416805D+01
      4   0.335670D+02  0.104881D+02  0.544222D+02  0.347451D+02  0.172699D+02
      5   0.126337D+02  0.389617D+02  0.206168D+02  0.189417D+02  0.923727D+01
      6   0.621724D+01  0.494733D+01  0.107060D+02  0.888017D+01  0.977535D+01
                61            62            63            64            65 
      1   0.876543D+02  0.119934D+02  0.282936D+02 -0.281269D+02  0.152320D+02
      2  -0.534365D+02 -0.515085D+01 -0.256070D+02  0.862863D+01 -0.483522D+01
      3  -0.342178D+02 -0.684253D+01 -0.268664D+01  0.194982D+02 -0.103968D+02
      4   0.232607D+02  0.136469D+02  0.115739D+02  0.161873D+02 -0.514568D+00
      5   0.660043D+02  0.137080D+02  0.402724D+02 -0.200355D+02  0.246410D+02
      6   0.106410D+02  0.101868D+02  0.587701D+01  0.109607D+02 -0.111272D+02
                66            67            68            69            70 
      1  -0.155539D+02  0.893768D+01  0.105506D+02  0.338424D+02 -0.249794D+02
      2  -0.838762D+00  0.136635D+01 -0.676802D+01 -0.253188D+02  0.160973D+01
      3   0.163927D+02 -0.103040D+02 -0.378256D+01 -0.852355D+01  0.233697D+02
      4   0.294138D+02 -0.496889D+01  0.100309D+02  0.102880D+02  0.352490D+02
      5   0.413659D+00  0.253435D+02  0.152539D+02 -0.128891D+02 -0.304534D+01
      6  -0.495982D+01 -0.754539D+01 -0.119359D+02 -0.603564D+01 -0.336061D+01
                71            72            73            74            75 
      1   0.348988D+02 -0.498349D+01 -0.471759D+02 -0.177296D+02 -0.132070D+02
      2  -0.261639D+02  0.557129D+01  0.197430D+02  0.833831D+01 -0.253686D+01
      3  -0.873493D+01 -0.587793D+00  0.274330D+02  0.939126D+01  0.157439D+02
      4   0.752044D+01 -0.505235D+01 -0.234685D+02  0.371217D+00 -0.331161D+01
      5  -0.915068D+01  0.927420D+01 -0.161928D+02 -0.394320D+01  0.996668D+01
      6  -0.690971D+01  0.254494D+00 -0.304064D+01 -0.320210D+01  0.866242D+01
                76            77            78            79            80 
      1  -0.151941D+02  0.797989D+01 -0.361795D+01 -0.316810D+01 -0.170355D+01
      2   0.117214D+02 -0.107126D+01  0.115346D+02 -0.579407D+01  0.801512D+01
      3   0.347267D+01 -0.690863D+01 -0.791668D+01  0.896217D+01 -0.631157D+01
      4   0.888360D+01  0.291333D+02  0.111177D+02  0.126759D+00  0.356128D+01
      5  -0.624100D+01  0.181617D+02 -0.857728D+01  0.128704D+02 -0.864462D+01
      6   0.411783D+01  0.103738D+02 -0.136765D+01  0.675145D+01 -0.380191D+01
                81            82            83            84            85 
      1   0.228321D+02 -0.957040D+01 -0.122214D+02 -0.865989D+01 -0.140138D+02
      2  -0.544622D+01  0.153251D+02  0.292708D+02  0.108017D+02  0.262442D+02
      3  -0.173859D+02 -0.575472D+01 -0.170494D+02 -0.214181D+01 -0.122304D+02
      4  -0.422260D+01  0.641403D+01  0.967438D+01  0.905809D+01  0.205934D+02
      5  -0.710870D+01  0.402763D+00  0.897181D+01 -0.173561D+02  0.745777D+01
      6  -0.918448D+01  0.344469D+00  0.883710D+01 -0.156514D+02  0.210498D+01
                86            87            88            89            90 
      1   0.117254D+02  0.679460D+01 -0.255053D+02  0.797037D+01 -0.123863D+02
      2  -0.120159D+02 -0.588801D+01  0.255581D+02 -0.582248D+01  0.932814D+01
      3   0.290494D+00 -0.906586D+00 -0.527627D-01 -0.214789D+01  0.305817D+01
      4   0.123539D+02  0.581316D+01  0.157733D+02  0.117113D+02 -0.103883D+02
      5  -0.244325D+01  0.277785D+00 -0.249218D+02 -0.615190D+01  0.470270D+01
      6  -0.458980D+01 -0.144741D+01 -0.193405D+02 -0.325729D+01  0.562322D+01
                91            92            93            94            95 
      1  -0.577586D+02 -0.343953D+01  0.338990D+02 -0.117373D+02  0.236827D+02
      2   0.354757D+02 -0.385448D+01 -0.982242D+01  0.391421D+01 -0.186320D+02
      3   0.222829D+02  0.729401D+01 -0.240766D+02  0.782306D+01 -0.505072D+01
      4  -0.229975D+01  0.158685D+02  0.826276D+00  0.104772D+02  0.234348D+02
      5   0.307129D+02  0.261886D+01  0.104084D+02  0.686916D+01  0.342923D+01
      6   0.219064D+01 -0.735876D+01  0.136924D+01 -0.469603D+01 -0.106704D+02
                96            97            98            99           100 
      1  -0.247789D+01  0.181869D+02 -0.480770D+01  0.155072D+02  0.814657D+02
      2  -0.108146D+02 -0.267310D+01 -0.358582D+01 -0.922829D+01 -0.393318D+02
      3   0.132925D+02 -0.155138D+02  0.839352D+01 -0.627892D+01 -0.421339D+02
      4   0.611916D+01  0.336820D+01  0.147125D+01 -0.143090D+02  0.358127D+02
      5  -0.132580D+02  0.161776D+02 -0.124095D+02 -0.146424D+02  0.254121D+02
      6  -0.377092D+01 -0.128598D+01  0.218374D+01  0.116380D+02  0.779022D+01
               101           102           103           104           105 
      1   0.153902D+02  0.134799D+02  0.697387D+01  0.713164D+01  0.122388D+01
      2  -0.395186D+01 -0.825225D+01 -0.242209D+00  0.491629D+00 -0.125784D+01
      3  -0.114384D+02 -0.522763D+01 -0.673166D+01 -0.762327D+01  0.339636D-01
      4   0.206063D+02  0.780237D+01  0.159944D+02  0.755335D+01  0.271398D+01
      5   0.654704D+01  0.148600D+02  0.347154D+01  0.208493D+01  0.239868D+01
      6   0.462661D+01  0.438688D+01  0.320045D+01  0.568266D+00  0.295394D+01
               106           107           108           109           110 
      1   0.319481D+01  0.943840D+00  0.469645D+01  0.756423D+00  0.577721D+01
      2  -0.273118D+01 -0.231983D+01 -0.444877D+01 -0.228107D+01 -0.334439D+01
      3  -0.463628D+00  0.137599D+01 -0.247675D+00  0.152465D+01 -0.243282D+01
      4   0.244687D+01  0.152090D+00  0.515763D+01  0.210646D+01 -0.187800D+01
      5   0.112467D+02  0.427701D+01  0.642869D+01  0.272564D+01 -0.107717D+00
      6   0.311869D+01  0.272174D+01  0.330638D+01  0.351069D+01 -0.339495D+01
               111           112           113           114           115 
      1   0.104619D+02  0.264856D+01 -0.722086D+01 -0.456817D+01  0.770236D+01
      2   0.220876D+00 -0.189618D+01  0.328082D+01  0.173573D+01 -0.349131D+01
      3  -0.106827D+02 -0.752384D+00  0.394004D+01  0.283244D+01 -0.421105D+01
      4   0.990835D+00  0.192046D+01  0.173218D+01  0.360635D+01  0.363319D+01
      5  -0.417177D+01  0.164019D+01  0.242842D+01  0.549742D+01  0.484787D+01
      6  -0.625016D+01 -0.827735D+00  0.577692D+01  0.105635D+02  0.491706D+00
               116           117           118           119           120 
      1  -0.752356D+01 -0.236094D+02  0.599655D+00 -0.149712D+00 -0.203318D+01
      2   0.140000D+01 -0.874947D+01 -0.403701D+01 -0.988900D-01 -0.172202D+00
      3   0.612356D+01  0.323589D+02  0.343735D+01  0.248602D+00  0.220538D+01
      4   0.815590D+01  0.788456D+01 -0.116335D+01  0.280974D+01  0.450193D+00
      5   0.916381D+01  0.287813D+02 -0.488368D+00  0.138872D+01  0.664844D+01
      6   0.116189D+02  0.219485D+02  0.133599D+01  0.231318D+00 -0.373663D-01
               121           122           123           124           125 
      1   0.996868D+00 -0.664435D+01 -0.540933D+01 -0.109075D+01 -0.272278D+01
      2  -0.634891D+00  0.217180D+01 -0.228903D+01  0.127795D+01 -0.259231D+01
      3  -0.361976D+00  0.447255D+01  0.769837D+01 -0.187195D+00  0.531510D+01
      4   0.218446D+01 -0.249140D+01 -0.219906D+01 -0.811080D-02 -0.286950D+01
      5   0.200894D+01 -0.240253D+01 -0.334941D+01  0.553772D+01 -0.247894D+01
      6  -0.149889D+00  0.220583D+01  0.682222D+01 -0.621984D+00  0.589473D+01
               126           127           128           129           130 
      1  -0.239326D+02 -0.743391D+01  0.194784D+02  0.751016D+00  0.108903D+02
      2  -0.125376D+02  0.987082D+01 -0.278275D+02 -0.151924D+01 -0.140463D+02
      3   0.364702D+02 -0.243690D+01  0.834914D+01  0.768227D+00  0.315606D+01
      4  -0.420783D+01 -0.493665D+01  0.225000D+01 -0.629225D+00  0.616040D+01
      5  -0.120527D+02  0.573980D+00 -0.849093D+00  0.164041D+01 -0.911837D+00
      6   0.228936D+01  0.234905D+00  0.206448D+00 -0.221246D+01  0.268911D+00
               131           132           133           134           135 
      1  -0.350982D+02 -0.393900D+00  0.409317D+01 -0.646766D+01 -0.398825D+01
      2   0.543558D+02  0.155885D+01 -0.377001D+01  0.994283D+01  0.482136D+01
      3  -0.192576D+02 -0.116495D+01 -0.323155D+00 -0.347517D+01 -0.833103D+00
      4   0.829232D+01 -0.455580D+00  0.381003D+00  0.146200D+01  0.208004D+01
      5   0.231998D+00  0.225300D+01  0.360989D+01  0.248961D+01  0.414339D-01
      6  -0.878855D+00  0.744846D+01  0.755591D+00  0.818775D+01  0.164368D+01
               136           137           138           139           140 
      1   0.112211D+02  0.101209D+01 -0.216413D+01  0.313015D+01 -0.528527D+01
      2  -0.482144D+01  0.197715D+01  0.660415D+00 -0.750350D+00  0.917142D+01
      3  -0.639969D+01 -0.298924D+01  0.150372D+01 -0.237980D+01 -0.388615D+01
      4   0.168072D+02  0.138863D+02 -0.113641D+02  0.100259D+02  0.109586D+02
      5  -0.168238D+02 -0.981369D+01  0.176780D+02 -0.555414D+01 -0.860179D+01
      6  -0.102796D+02 -0.905277D+01  0.122247D+02 -0.644906D+01 -0.988218D+01
               141           142           143           144           145 
      1   0.256349D+01  0.225301D+00  0.625863D+01 -0.586775D+01  0.148725D+02
      2  -0.399846D+01 -0.112220D+01 -0.723195D+01 -0.239565D+01 -0.102823D+02
      3   0.143497D+01  0.896899D+00  0.973315D+00  0.826339D+01 -0.459017D+01
      4  -0.891582D+01 -0.169581D+02 -0.154401D+02  0.153167D+02 -0.244378D+02
      5   0.764476D+01  0.207767D+02  0.140295D+02 -0.248125D+02  0.265702D+02
      6   0.965028D+01  0.154229D+02  0.166015D+02 -0.225389D+02 -0.133273D+02
               146           147           148           149           150 
      1  -0.105375D+01  0.197867D+01 -0.878734D+00 -0.323431D+01  0.166350D+01
      2  -0.124771D+01 -0.625571D+01 -0.568932D+00  0.697067D+01 -0.107574D+01
      3   0.230146D+01  0.427705D+01  0.144767D+01 -0.373636D+01 -0.587752D+00
      4   0.188665D+02 -0.165420D+02  0.131764D+02 -0.134975D+02  0.991889D+01
      5  -0.141608D+02  0.238494D+02 -0.892765D+01  0.878795D+01 -0.839591D+01
      6   0.129179D+02 -0.144376D+02  0.872016D+01 -0.103863D+02  0.100302D+02
               151           152           153           154           155 
      1   0.375835D+01  0.192271D+01 -0.320040D+01 -0.608880D+01 -0.109902D+02
      2  -0.598537D+01  0.608118D-02 -0.756535D+01  0.759190D+01  0.168681D+02
      3   0.222702D+01 -0.192879D+01  0.107657D+02 -0.150311D+01 -0.587784D+01
      4  -0.138820D+02  0.104674D+02 -0.131759D+02  0.203932D+01  0.275176D+01
      5   0.197695D+02 -0.113683D+02  0.219966D+02 -0.111590D+01 -0.438505D+01
      6  -0.110466D+02  0.113983D+02 -0.158283D+02 -0.137822D+01 -0.182248D+01
               156           157           158           159           160 
      1   0.927155D+00 -0.663396D+01 -0.246764D+02 -0.126036D+01 -0.228370D+01
      2   0.237014D+01  0.102294D+02  0.410006D+02  0.557267D+01  0.377421D+01
      3  -0.329729D+01 -0.359539D+01 -0.163242D+02 -0.431232D+01 -0.149051D+01
      4  -0.117392D+01  0.486294D+01 -0.900382D+01  0.777579D+00  0.228354D+00
      5   0.767474D+00 -0.455165D+01 -0.487356D+01 -0.386305D+01  0.601890D+00
      6   0.199051D+01 -0.344598D+00 -0.604671D+01  0.617258D+01  0.291560D+00
               161           162           163           164           165 
      1  -0.947864D+01 -0.328363D+01 -0.631285D+01 -0.262195D+01  0.111818D+02
      2   0.152871D+02  0.436851D+01 -0.509374D+01  0.614290D+01  0.437333D+01
      3  -0.580850D+01 -0.108487D+01  0.114066D+02 -0.352095D+01 -0.155551D+02
      4  -0.369892D+01 -0.935065D+00  0.687740D+01 -0.143973D+01 -0.542953D+01
      5  -0.339040D+01 -0.205847D+01 -0.429473D+01 -0.696333D+00  0.285126D+01
      6   0.353639D+01  0.387332D+01 -0.181150D+01 -0.260617D+01  0.421174D+01
               166           167           168           169           170 
      1   0.150327D+01 -0.258186D+01 -0.696625D+01  0.886524D+01 -0.228174D+01
      2   0.394308D+01 -0.546257D-02 -0.194901D+01  0.407791D+01 -0.190995D+01
      3  -0.544635D+01  0.258733D+01  0.891526D+01 -0.129432D+02  0.419168D+01
      4  -0.291259D+01  0.291584D+01  0.163242D+01 -0.677630D+01  0.226315D+01
      5   0.224234D+00 -0.943701D+00  0.213367D+01  0.540142D+01 -0.135691D+01
      6  -0.224596D+01  0.325248D+01  0.731869D+00  0.178674D+01  0.376611D+01
               171           172           173           174           175 
      1  -0.147505D+02 -0.278120D+01 -0.123235D+02 -0.545896D+01 -0.944215D+01
      2  -0.888148D+01  0.291841D+01  0.101846D+02  0.295596D+01  0.389107D+01
      3   0.236320D+02 -0.137209D+00  0.213893D+01  0.250300D+01  0.555109D+01
      4   0.453394D+01 -0.812179D+00 -0.431219D+01 -0.453881D+01  0.780187D+01
      5   0.180471D+01  0.205832D+01 -0.379863D+01 -0.288418D+01  0.224172D+01
      6  -0.592539D+01  0.150274D+01  0.683640D+01  0.542674D+01 -0.472670D+00
               176           177           178           179           180 
      1  -0.222393D+02 -0.135387D+02 -0.282430D+01 -0.142720D+02 -0.100867D+02
      2   0.261482D+02  0.961437D+01  0.220940D+01  0.102428D+02  0.326509D+01
      3  -0.390891D+01  0.392433D+01  0.614900D+00  0.402929D+01  0.682165D+01
      4  -0.286095D+02 -0.134893D+02  0.288724D+00 -0.134879D+02 -0.927301D+01
      5  -0.136178D+02 -0.107236D+02  0.464276D+01 -0.929794D+01 -0.129771D+02
      6   0.204187D+02  0.150726D+02 -0.185581D-01  0.146482D+02  0.129410D+02
               181           182           183           184           185 
      1   0.692211D+02 -0.183664D+02  0.134126D+02 -0.166398D+02  0.849511D+01
      2  -0.279069D+02  0.314658D+01 -0.362851D+01  0.187140D+01  0.141766D+01
      3  -0.413141D+02  0.152198D+02 -0.978405D+01  0.147684D+02 -0.991277D+01
      4  -0.365672D+02  0.205842D+02 -0.854502D+01  0.218098D+02 -0.166936D+02
      5   0.816186D+01 -0.408370D+01  0.127008D+02 -0.378038D+01  0.124081D+01
      6  -0.340734D+01  0.141610D+01 -0.381467D+01  0.138034D+01  0.156387D+00
               186           187           188           189           190 
      1  -0.548465D+01  0.314058D+02 -0.100272D+02  0.110123D+02  0.183328D+02
      2   0.149743D+01 -0.110044D+02  0.206179D+01 -0.517811D+01 -0.129121D+02
      3   0.398722D+01 -0.204013D+02  0.796538D+01 -0.583422D+01 -0.542074D+01
      4   0.381211D+01 -0.205447D+02  0.119278D+02 -0.711403D+01  0.222480D+01
      5  -0.308912D+01  0.130571D+02 -0.424448D+01  0.115976D+02 -0.135563D+02
      6   0.380386D+01 -0.443385D+01  0.359311D+01 -0.478143D+01 -0.131436D+01
               191           192           193           194           195 
      1   0.441445D+01 -0.869801D+01  0.139739D+02  0.316703D+01 -0.908298D+01
      2  -0.472088D+01  0.100986D+02 -0.112586D+02 -0.482075D+01  0.126269D+02
      3   0.306435D+00 -0.140061D+01 -0.271523D+01  0.165372D+01 -0.354390D+01
      4   0.597914D+01 -0.579868D+01  0.580495D+01  0.133123D+02 -0.926696D+01
      5  -0.813596D+01  0.151729D+02 -0.151457D+02 -0.111889D+02  0.182806D+02
      6  -0.268846D+00  0.156371D+00 -0.232596D+00 -0.361059D+01  0.289214D+01
               196           197           198           199           200 
      1  -0.115343D+02 -0.638315D+01  0.761963D+01  0.502209D+00 -0.167637D+01
      2   0.135984D+02  0.984616D+01 -0.185049D+02  0.107418D+01  0.150887D+01
      3  -0.206411D+01 -0.346301D+01  0.108853D+02 -0.157639D+01  0.167500D+00
      4  -0.543669D+01 -0.105523D+02  0.717939D+01 -0.113132D+01  0.133673D+01
      5   0.213267D+02  0.106626D+02 -0.314943D+02 -0.378400D+01  0.950545D+00
      6  -0.468469D+00  0.495122D+01  0.570928D+00  0.583819D+00  0.125444D+00
               201           202           203           204           205 
      1  -0.240850D+01 -0.199740D+01 -0.535429D+00 -0.459350D+01 -0.356758D+01
      2   0.192697D+01 -0.160305D+01  0.775144D+00  0.229966D+01  0.286825D+01
      3   0.481524D+00  0.360045D+01 -0.239714D+00  0.229384D+01  0.699329D+00
      4   0.180216D+01  0.103507D+01 -0.880713D+00 -0.220283D+01  0.222319D+01
      5   0.399823D+01  0.448775D+00 -0.677854D+00 -0.202643D+01  0.370475D+01
      6  -0.252030D+00 -0.724997D+00  0.335872D+01  0.306444D+01 -0.167117D-01
               206           207           208           209           210 
      1  -0.514012D+01 -0.784072D+01 -0.216619D+00  0.110380D+01  0.283042D+01
      2   0.402066D+01  0.139482D+01 -0.192978D+01 -0.572078D+00 -0.690299D+00
      3   0.111946D+01  0.644590D+01  0.214640D+01 -0.531722D+00 -0.214012D+01
      4  -0.210995D+01 -0.403105D+01  0.150640D+01  0.194887D+01  0.189633D+01
      5  -0.328989D+01 -0.702284D+01  0.280744D+01  0.220594D+01  0.617622D+01
      6   0.439889D+01  0.661714D+01  0.206640D+01 -0.714597D-01  0.592333D+00
               211           212           213           214           215 
      1   0.221814D+01 -0.619827D+01 -0.824750D+01  0.333604D+01 -0.790900D+01
      2  -0.337264D+01  0.149553D+01 -0.625319D+00 -0.265538D+01  0.103667D+01
      3   0.115450D+01  0.470274D+01  0.887282D+01 -0.680664D+00  0.687233D+01
      4  -0.558579D+00  0.324223D+01  0.391088D+01  0.242551D+01  0.434899D+01
      5   0.328585D+01  0.479689D+01  0.894769D+01  0.469076D+01  0.686958D+01
      6  -0.776610D+00  0.514105D+01  0.648921D+01  0.153136D+01  0.810613D+01
               216           217           218           219           220 
      1  -0.240552D+02  0.267139D+01 -0.797638D+01 -0.577543D+01 -0.105183D+02
      2  -0.634551D+01  0.165682D+00  0.646314D+01  0.153985D+01  0.542086D+01
      3   0.304007D+02 -0.283707D+01  0.151323D+01  0.423558D+01  0.509742D+01
      4   0.573857D+01 -0.256908D+01 -0.353655D+01 -0.135822D+01  0.612963D+01
      5   0.222650D+02 -0.855699D+00  0.193948D+00 -0.395425D+01  0.741582D+01
      6   0.967674D+01  0.174638D+01  0.384841D+01  0.177491D+01 -0.137745D+01
               221           222           223           224           225 
      1  -0.207207D+02 -0.400260D+01 -0.442474D+01 -0.282295D+01 -0.661245D+01
      2   0.276267D+02  0.251930D+01  0.210380D+01  0.227131D+00  0.220522D+01
      3  -0.690602D+01  0.148329D+01  0.232094D+01  0.259582D+01  0.440723D+01
      4  -0.430088D+02 -0.105545D+02 -0.113803D+01 -0.298614D+01 -0.343487D+01
      5  -0.808562D+01 -0.114495D+02  0.868215D+00 -0.327906D+01 -0.347853D+01
      6   0.197513D+02  0.997120D+01  0.125349D+00  0.663373D+01  0.235259D+01
               226           227           228           229           230 
      1  -0.553462D+01  0.646023D+01 -0.158220D+02  0.799340D+01 -0.114163D+02
      2  -0.533485D+00 -0.110960D+01 -0.486940D+00 -0.370375D+01  0.426751D+01
      3   0.606810D+01 -0.535063D+01  0.163089D+02 -0.428966D+01  0.714875D+01
      4   0.392277D+01 -0.570246D+01  0.154188D+01 -0.161071D+01  0.461657D+01
      5  -0.211018D+00 -0.694915D-02 -0.948483D+01 -0.290169D+01 -0.632205D+01
      6  -0.272219D+01  0.452537D+01 -0.275510D+01  0.201516D+01 -0.546147D+01
               231           232           233           234           235 
      1   0.916084D+01 -0.164508D+02  0.749542D+01 -0.223197D+02  0.832135D+02
      2   0.336398D+01  0.556236D+01  0.142474D+01 -0.725186D+01 -0.468292D+02
      3  -0.125248D+02  0.108884D+02 -0.892017D+01  0.295716D+02 -0.363842D+02
      4  -0.803944D+01  0.354260D+01 -0.862342D+01  0.723224D+01 -0.763222D+01
      5   0.126964D+02  0.210680D+01  0.578639D+01 -0.223081D+02 -0.444516D+02
      6   0.871671D+01 -0.184814D+01  0.690289D+01 -0.628673D+01  0.687483D-01
               236           237           238           239           240 
      1  -0.898706D+00 -0.224680D+02  0.601076D+01  0.586897D+01 -0.151539D+01
      2  -0.301633D+00  0.166332D+02 -0.355125D+01 -0.201258D+01  0.218522D+01
      3   0.120034D+01  0.583482D+01 -0.245951D+01 -0.385640D+01 -0.669828D+00
      4   0.121485D+02  0.215322D+01  0.101273D+02 -0.120331D+01 -0.423144D+01
      5   0.498243D+00  0.254328D+02 -0.381020D+01 -0.522622D+01  0.375621D+01
      6  -0.400672D+01 -0.967981D+00 -0.341853D+01  0.403879D+00  0.269268D+01
               241           242           243 
      1  -0.121009D+02  0.271031D+00  0.869932D+01
      2   0.105257D+02  0.639348D+00 -0.900746D+01
      3   0.157529D+01 -0.910378D+00  0.308142D+00
      4   0.795258D+00 -0.242333D+01  0.495380D+00
      5   0.174951D+02  0.102787D+01 -0.122552D+02
      6  -0.127684D+01  0.215470D+01 -0.155209D+00
 Leave Link  716 at Thu Aug 12 23:13:05 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.171724D+03  0.741135D+01  0.556886D+01
      2   0.741135D+01  0.110800D+03  0.423266D+01
      3   0.556886D+01  0.423266D+01  0.113418D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.949342D+01  0.901611D+01 -0.311638D+01
      2   0.133990D+02 -0.117148D+02  0.166830D+02
      3   0.307354D+02 -0.445847D+02  0.199589D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.690571D+02 -0.462280D+02 -0.254906D+02
      2   0.598708D+02  0.408525D+02 -0.356203D+01
      3   0.918629D+01  0.537546D+01  0.290526D+02
      4  -0.439591D+02  0.998935D+02 -0.405489D+02
      5  -0.227105D+02 -0.461322D+02  0.248264D+02
      6  -0.237451D+02  0.136458D+02 -0.998371D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.232054D+01  0.146708D+01 -0.429477D+01  0.633217D+00  0.956868D+00
      2   0.146708D+01  0.845568D+00  0.383606D+01  0.956868D+00  0.310848D+01
      3  -0.429477D+01  0.383606D+01 -0.600568D+00  0.384348D+01  0.143598D+01
                 6             7             8             9            10 
      1   0.384348D+01 -0.457302D+01  0.388929D+01 -0.377416D+00  0.192922D+02
      2   0.143598D+01  0.388929D+01  0.209882D+01 -0.468344D+00 -0.219925D+01
      3  -0.118351D+01 -0.377416D+00 -0.468344D+00 -0.166608D+01  0.545197D+01
                11            12            13            14            15 
      1  -0.219925D+01  0.545197D+01 -0.584302D+01  0.117919D+01 -0.455620D+01
      2   0.155239D-01 -0.358553D+01  0.117919D+01 -0.465075D+01 -0.245421D+01
      3  -0.358553D+01  0.247617D+00 -0.455620D+01 -0.245421D+01  0.202536D+00
                16            17            18            19            20 
      1   0.168691D+02 -0.436374D+01  0.186145D+01 -0.403049D+02 -0.209620D+01
      2  -0.436374D+01 -0.233239D+01  0.343732D+00 -0.209620D+01 -0.420774D+01
      3   0.186145D+01  0.343732D+00  0.964644D+00 -0.467340D+01  0.113076D+01
                21            22            23            24            25 
      1  -0.467340D+01  0.367143D+01 -0.831949D+01  0.281254D+01 -0.782575D+01
      2   0.113076D+01 -0.831949D+01 -0.206602D+01 -0.674014D+00  0.235307D+01
      3  -0.649515D+00  0.281254D+01 -0.674014D+00  0.295120D+01 -0.868553D+00
                26            27            28            29            30 
      1   0.235307D+01 -0.868553D+00  0.604208D+02  0.626864D+01  0.562086D+01
      2  -0.924053D+00  0.283329D+01  0.626864D+01  0.363056D+01 -0.151292D+00
      3   0.283329D+01  0.366528D+01  0.562086D+01 -0.151292D+00  0.217739D+01
                31            32            33            34            35 
      1   0.126960D+02  0.760536D+01 -0.691207D+00  0.103380D+02 -0.813147D-01
      2   0.760536D+01  0.406692D+01  0.182850D-01 -0.813147D-01  0.817480D+00
      3  -0.691207D+00  0.182850D-01 -0.167673D+01  0.423505D+01 -0.177477D+01
                36            37            38            39            40 
      1   0.423505D+01 -0.588545D+02 -0.824081D+01 -0.669208D+01 -0.132520D+02
      2  -0.177477D+01 -0.824081D+01 -0.288724D+01  0.569826D-01 -0.572774D+01
      3  -0.191986D+01 -0.669208D+01  0.569826D-01 -0.821809D+00  0.155620D-01
                41            42            43            44            45 
      1  -0.572774D+01  0.155620D-01 -0.884275D+01  0.231284D-01 -0.342429D+01
      2  -0.313574D+01 -0.336059D+00  0.231284D-01 -0.936361D+00  0.255496D+01
      3  -0.336059D+00  0.290773D+01 -0.342429D+01  0.255496D+01  0.244939D+01
                46            47            48            49            50 
      1   0.414413D+02  0.810385D+01  0.644076D+01  0.992937D+01  0.214455D+01
      2   0.810385D+01  0.737280D+00  0.165525D+01  0.214455D+01  0.915435D+00
      3   0.644076D+01  0.165525D+01  0.698018D+00  0.244035D+01  0.225531D+00
                51            52            53            54            55 
      1   0.244035D+01  0.532917D+01  0.222749D+01  0.250883D+01 -0.350850D+02
      2   0.225531D+00  0.222749D+01  0.350829D+00 -0.112566D+01 -0.632264D+01
      3  -0.139552D+01  0.250883D+01 -0.112566D+01 -0.263478D+01 -0.598656D+01
                56            57            58            59            60 
      1  -0.632264D+01 -0.598656D+01 -0.135174D+02 -0.657466D+01 -0.163506D+01
      2  -0.215799D+01 -0.123332D+01 -0.657466D+01 -0.400302D+01 -0.217229D+01
      3  -0.123332D+01 -0.254650D+01 -0.163506D+01 -0.217229D+01 -0.608432D+00
                61            62            63            64            65 
      1  -0.195296D+02 -0.333406D+01 -0.614401D+01 -0.652435D+01  0.139411D+01
      2  -0.333406D+01 -0.138815D+01 -0.149957D+01  0.139411D+01  0.688768D+00
      3  -0.614401D+01 -0.149957D+01 -0.416264D+01 -0.329264D+01  0.404333D+01
                66            67            68            69            70 
      1  -0.329264D+01  0.126149D+01 -0.362049D+00  0.404193D+01 -0.746220D+01
      2   0.404333D+01 -0.362049D+00  0.264330D+01  0.327184D+01  0.405042D+01
      3   0.886497D-01  0.404193D+01  0.327184D+01 -0.126265D+01 -0.124742D+01
                71            72            73            74            75 
      1   0.405042D+01 -0.124742D+01 -0.640160D+01 -0.194545D+01 -0.154692D+01
      2   0.303126D+01 -0.490470D+00 -0.194545D+01  0.176723D+01 -0.455460D+00
      3  -0.490470D+00  0.146972D+01 -0.154692D+01 -0.455460D+00  0.286308D+01
                76            77            78            79            80 
      1  -0.192124D+01  0.237711D+01 -0.816619D+00  0.374169D+00 -0.207735D+00
      2   0.237711D+01  0.587616D+01  0.253493D+01 -0.207735D+00  0.221436D+01
      3  -0.816619D+00  0.253493D+01 -0.176890D+01  0.262931D+01 -0.247031D+01
                81            82            83            84            85 
      1   0.262931D+01  0.615646D+01  0.243123D+01  0.964833D+00  0.589700D+01
      2  -0.247031D+01  0.243123D+01  0.472119D+01  0.265262D+01  0.654098D+01
      3  -0.259755D+01  0.964833D+00  0.265262D+01 -0.334488D+01  0.188116D+01
                86            87            88            89            90 
      1   0.654098D+01  0.188116D+01  0.721777D+01  0.487232D+01 -0.355664D+01
      2  -0.127195D+01  0.457227D+00  0.487232D+01  0.385215D+00 -0.528377D-01
      3   0.457227D+00  0.271667D+00 -0.355664D+01 -0.528377D-01  0.276685D+00
                91            92            93            94            95 
      1   0.894832D+01  0.100781D+01 -0.291253D+01  0.223299D+01 -0.146038D+01
      2   0.100781D+01 -0.230582D+01 -0.964791D-01 -0.146038D+01 -0.399045D+01
      3  -0.291253D+01 -0.964791D-01 -0.283068D+01 -0.587713D+00 -0.125717D+01
                96            97            98            99           100 
      1  -0.587713D+00 -0.651119D+00 -0.392434D+00 -0.327012D+01  0.111393D+02
      2  -0.125717D+01 -0.392434D+00 -0.622085D+00  0.221339D+01  0.262289D+01
      3   0.243440D+01 -0.327012D+01  0.221339D+01  0.119311D+01  0.239646D+01
               101           102           103           104           105 
      1   0.262289D+01  0.239646D+01  0.119149D+01  0.149304D+01  0.292844D+00
      2   0.202335D+01  0.626255D+00  0.149304D+01  0.655398D+00  0.227461D+00
      3   0.626255D+00  0.145937D+01  0.292844D+00  0.227461D+00  0.351440D+00
               106           107           108           109           110 
      1   0.537933D+00  0.206619D+00  0.106415D+01 -0.215203D+00  0.529956D+00
      2   0.206619D+00 -0.112830D+00  0.626544D+00  0.529956D+00 -0.973125D+00
      3   0.106415D+01  0.626544D+00  0.100690D+01  0.972263D+00 -0.427222D+00
               111           112           113           114           115 
      1   0.972263D+00  0.272512D+00 -0.142282D+00  0.647202D-01  0.106595D+01
      2  -0.427222D+00 -0.142282D+00  0.719620D+00  0.974397D+00  0.382757D-01
      3  -0.213779D+01  0.647202D-01  0.974397D+00  0.140893D+01 -0.201538D+00
               116           117           118           119           120 
      1   0.382757D-01 -0.201538D+00 -0.291279D+00 -0.415357D+00 -0.643023D+00
      2   0.193948D+01  0.213382D+01 -0.415357D+00  0.288614D+00 -0.125762D+00
      3   0.213382D+01  0.743612D+01 -0.643023D+00 -0.125762D+00 -0.730340D-01
               121           122           123           124           125 
      1  -0.196347D+01  0.365599D+00 -0.301529D-01 -0.120112D+01  0.614367D-01
      2   0.365599D+00 -0.761768D+00 -0.117261D+01  0.614367D-01 -0.128061D+01
      3  -0.301529D-01 -0.117261D+01 -0.171302D+01  0.424761D+00 -0.116531D+01
               126           127           128           129           130 
      1   0.424761D+00 -0.198707D+01  0.168471D+01 -0.838353D-01  0.331607D+00
      2  -0.116531D+01  0.168471D+01 -0.429392D+01 -0.246259D+00 -0.195094D+01
      3  -0.683847D+01 -0.838353D-01 -0.246259D+00 -0.293886D+00 -0.289029D+00
               131           132           133           134           135 
      1  -0.195094D+01 -0.289029D+00  0.207304D+00 -0.607366D+00  0.219831D+00
      2   0.811656D+01  0.399942D-01 -0.607366D+00  0.153641D+01  0.112765D+01
      3   0.399942D-01  0.894652D+00  0.219831D+00  0.112765D+01  0.277493D+00
               136           137           138           139           140 
      1   0.301594D+01  0.156808D+01 -0.197209D+01 -0.234815D+00  0.833590D+00
      2   0.156808D+01  0.156473D+01 -0.145568D+01  0.833590D+00  0.212039D+01
      3  -0.197209D+01 -0.145568D+01  0.252472D+01 -0.102974D+01 -0.147433D+01
               141           142           143           144           145 
      1  -0.102974D+01 -0.444882D+01 -0.245344D+01  0.285982D+01  0.532756D+01
      2  -0.147433D+01 -0.245344D+01 -0.283745D+01  0.242545D+01 -0.240195D+01
      3   0.124412D+01  0.285982D+01  0.242545D+01 -0.453172D+01  0.325194D+01
               146           147           148           149           150 
      1  -0.240195D+01  0.325194D+01 -0.132572D+01  0.151411D+01 -0.131445D+01
      2   0.248793D+01 -0.217307D+01  0.151411D+01 -0.235299D+01  0.141643D+01
      3  -0.217307D+01  0.330944D+01 -0.131445D+01  0.141643D+01 -0.124642D+01
               151           152           153           154           155 
      1   0.227918D+01 -0.166204D+01  0.235355D+01 -0.128547D+01 -0.144314D+01
      2  -0.166204D+01  0.140241D+01 -0.185265D+01 -0.144314D+01 -0.245387D+01
      3   0.235355D+01 -0.185265D+01  0.371777D+01  0.112652D+00 -0.415622D+00
               156           157           158           159           160 
      1   0.112652D+00 -0.124487D+01 -0.142376D+01 -0.426050D+00 -0.480907D+00
      2  -0.415622D+00 -0.142376D+01 -0.665662D+01 -0.417138D+00 -0.734582D+00
      3  -0.557875D+00 -0.426050D+00 -0.417138D+00 -0.118637D+01 -0.297845D+00
               161           162           163           164           165 
      1  -0.734582D+00 -0.297845D+00 -0.373899D+01  0.799593D+00  0.185908D+01
      2  -0.259803D+01 -0.798600D+00  0.799593D+00 -0.113912D+01 -0.281752D+00
      3  -0.798600D+00 -0.790908D+00  0.185908D+01 -0.281752D+00 -0.246578D+01
               166           167           168           169           170 
      1   0.198144D+01 -0.106986D+01 -0.657544D+00  0.161196D+01 -0.564048D+00
      2  -0.106986D+01  0.737218D+00  0.288606D+00 -0.564048D+00  0.666084D+00
      3  -0.657544D+00  0.288606D+00  0.165540D+01 -0.206201D+01  0.344749D+00
               171           172           173           174           175 
      1  -0.206201D+01 -0.295223D+00 -0.658301D+00 -0.666414D-01 -0.139335D+01
      2   0.344749D+00 -0.658301D+00 -0.197155D+01 -0.123997D+01  0.380965D+00
      3   0.389287D+01 -0.666414D-01 -0.123997D+01 -0.112792D+01 -0.671730D-01
               176           177           178           179           180 
      1   0.380965D+00 -0.671730D-01 -0.229202D+00 -0.218257D+00  0.293148D+00
      2  -0.594224D+01 -0.282722D+01 -0.218257D+00 -0.276556D+01 -0.205422D+01
      3  -0.282722D+01 -0.214934D+01  0.293148D+00 -0.205422D+01 -0.253966D+01
               181           182           183           184           185 
      1   0.852760D+01 -0.294953D+01  0.162996D+01 -0.226710D+01  0.208645D+01
      2  -0.294953D+01  0.178038D+01 -0.813748D+00  0.208645D+01 -0.188043D+01
      3   0.162996D+01 -0.813748D+00  0.145066D+01 -0.750249D+00  0.189312D+00
               186           187           188           189           190 
      1  -0.750249D+00  0.551626D+01 -0.191177D+01  0.176795D+01  0.274729D+01
      2   0.189312D+00 -0.191177D+01  0.115818D+01 -0.663988D+00  0.699022D+00
      3  -0.457607D+00  0.176795D+01 -0.663988D+00  0.147762D+01 -0.130967D+01
               191           192           193           194           195 
      1   0.699022D+00 -0.130967D+01  0.209036D+01  0.779277D+00 -0.178996D+01
      2   0.629684D+00 -0.946072D+00  0.779277D+00  0.202236D+01 -0.167458D+01
      3  -0.946072D+00  0.152987D+01 -0.178996D+01 -0.167458D+01  0.249645D+01
               196           197           198           199           200 
      1  -0.179768D+01 -0.980517D+00  0.239288D+01  0.113850D+01  0.756193D+00
      2  -0.980517D+00 -0.181630D+01  0.139378D+01  0.756193D+00  0.112295D+00
      3   0.239288D+01  0.139378D+01 -0.430850D+01  0.128156D+01 -0.111198D+00
               201           202           203           204           205 
      1   0.128156D+01  0.153390D+01 -0.950984D+00  0.249118D+00  0.178774D+01
      2  -0.111198D+00 -0.950984D+00  0.642498D+00  0.107435D+01  0.406777D+00
      3  -0.473633D+00  0.249118D+00  0.107435D+01  0.155553D+01 -0.359755D+00
               206           207           208           209           210 
      1   0.406777D+00 -0.359755D+00 -0.790758D+00 -0.515183D+00 -0.891830D+00
      2   0.137751D+01  0.151210D+01 -0.515183D+00 -0.766260D-01 -0.415552D-01
      3   0.151210D+01  0.434728D+01 -0.891830D+00 -0.415552D-01  0.512348D-01
               211           212           213           214           215 
      1  -0.960949D+00  0.165189D+00 -0.443841D+00 -0.165582D+01 -0.313831D+00
      2   0.165189D+00 -0.115554D+01 -0.141863D+01 -0.313831D+00 -0.165111D+01
      3  -0.443841D+00 -0.141863D+01 -0.249187D+01 -0.220415D+00 -0.214522D+01
               216           217           218           219           220 
      1  -0.220415D+00 -0.800687D+00  0.587359D+00  0.185946D+00  0.212396D+01
      2  -0.214522D+01  0.587359D+00  0.114627D+01  0.308833D+00 -0.143308D+00
      3  -0.687606D+01  0.185946D+00  0.308833D+00  0.100639D+01 -0.700643D+00
               221           222           223           224           225 
      1  -0.143308D+00 -0.700643D+00  0.973746D+00  0.133265D+00  0.109454D+00
      2   0.709132D+01  0.167037D+01  0.133265D+00  0.529628D+00  0.657845D+00
      3   0.167037D+01  0.184596D+01  0.109454D+00  0.657845D+00  0.712283D+00
               226           227           228           229           230 
      1   0.647901D+00 -0.932710D+00  0.921062D+00 -0.122377D+01  0.610141D+00
      2  -0.932710D+00  0.115379D+01 -0.431320D+00  0.610141D+00 -0.105579D+01
      3   0.921062D+00 -0.431320D+00  0.269396D+01 -0.163286D+00  0.154506D+01
               231           232           233           234           235 
      1  -0.163286D+00  0.265947D+01 -0.474231D+00  0.646199D+00 -0.990758D+01
      2   0.154506D+01 -0.474231D+00  0.148317D+01 -0.138538D+01  0.200000D+00
      3  -0.255465D+01  0.646199D+00 -0.138538D+01  0.488128D+01  0.327664D+01
               236           237           238           239           240 
      1   0.200000D+00  0.327664D+01 -0.699023D+00 -0.906950D+00  0.307221D+00
      2  -0.112617D+01 -0.787880D-01 -0.906950D+00  0.207664D+00  0.508449D+00
      3  -0.787880D-01 -0.217651D+01  0.307221D+00  0.508449D+00 -0.525008D+00
               241           242           243 
      1   0.193018D+01  0.372700D-01 -0.133637D+01
      2   0.372700D-01  0.274101D+00 -0.219984D+00
      3  -0.133637D+01 -0.219984D+00  0.109779D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.616962D+01  0.956944D+01  0.543173D+01  0.896873D+01  0.931527D+01
      2  -0.834512D+01  0.237839D+01  0.752496D+01  0.685156D+01  0.291324D+00
      3  -0.289035D+01 -0.775858D+01  0.200980D+01 -0.395083D+00 -0.674262D+01
                 6             7             8             9            10 
      1  -0.209202D+01  0.580582D+01  0.480390D+01 -0.504598D+01  0.449642D+01
      2  -0.756393D+01  0.349035D+01 -0.766918D+01 -0.229126D+01  0.188443D+02
      3  -0.937340D+01  0.811506D+00 -0.114354D+02  0.115030D+01  0.927559D+01
                11            12            13            14            15 
      1  -0.512430D+01 -0.113579D+00 -0.655798D+01 -0.614088D+01 -0.508355D+01
      2  -0.837614D+01  0.460303D+01 -0.116269D+02 -0.383039D+01  0.764672D+00
      3  -0.201745D+01  0.772770D+01  0.723901D+01  0.125564D+02  0.985786D+01
                16            17            18            19            20 
      1   0.172982D+01  0.385152D+01 -0.383019D+00  0.223318D+01  0.290070D+01
      2   0.442038D+01  0.188117D+01  0.281320D+01 -0.276026D+02 -0.170168D+01
      3   0.992806D+01  0.104735D+02 -0.113024D+01 -0.157465D+02 -0.385997D+01
                21            22            23            24            25 
      1  -0.134133D+01  0.700532D+01  0.400369D+01 -0.232420D+01 -0.371393D+01
      2  -0.467545D+00  0.120093D+00 -0.660085D+01  0.447909D+01 -0.160208D+02
      3  -0.334513D+01  0.642587D+01 -0.596534D+01  0.252663D+01 -0.341068D+01
                26            27            28            29            30 
      1   0.397562D+01 -0.400431D+01 -0.843683D+01  0.438812D+00 -0.506166D+00
      2   0.255566D+01  0.349177D+00  0.310624D+02  0.555228D+01 -0.138717D+01
      3   0.367742D+00 -0.193334D+01  0.168176D+02  0.827266D+01  0.399185D-01
                31            32            33            34            35 
      1   0.524079D+01 -0.129064D+01 -0.292867D+01 -0.255856D+01  0.179511D+01
      2   0.131672D+02  0.344048D+01 -0.100396D+00 -0.204073D+02 -0.199825D+01
      3   0.364206D+02  0.966482D+01  0.291171D+01 -0.740171D+00 -0.298090D+00
                36            37            38            39            40 
      1   0.318051D+01  0.824361D+01 -0.132739D+01  0.915174D+00 -0.655216D+01
      2  -0.464392D+00 -0.222724D+02 -0.540437D+01  0.319442D+01 -0.125177D+02
      3   0.548077D+00 -0.232070D+02 -0.114176D+02 -0.743442D+00 -0.361858D+01
                41            42            43            44            45 
      1   0.228657D+00 -0.827264D+00  0.782207D+01  0.200930D+01 -0.379994D+00
      2  -0.380520D+01 -0.525695D+01 -0.138115D+02 -0.650506D+01 -0.115859D+02
      3  -0.402374D+01  0.161167D+01  0.124684D+01  0.289488D+01  0.370596D+01
                46            47            48            49            50 
      1  -0.617155D+01  0.818740D+01 -0.790801D-01  0.451358D+01 -0.657717D+01
      2   0.504361D+01  0.498041D+01 -0.662424D+01  0.386961D+01 -0.288443D+00
      3   0.151239D+02  0.154335D+02  0.104625D+01  0.244310D+02  0.587003D+01
                51            52            53            54            55 
      1  -0.135425D+02 -0.179881D-01 -0.287093D+01  0.924544D+01  0.371310D+01
      2  -0.105223D+01 -0.175180D+02  0.787058D+00  0.822233D+01 -0.549045D+01
      3  -0.232084D+01  0.101306D+00  0.410621D+00 -0.116330D+01 -0.120049D+02
                56            57            58            59            60 
      1  -0.152999D+01 -0.121154D+01  0.250215D+01  0.301065D+01  0.337224D+00
      2  -0.101110D+01  0.163204D+02 -0.472623D+01  0.266979D+01  0.598260D+01
      3  -0.180520D+02 -0.259274D+01 -0.142383D+02 -0.138953D+02 -0.452333D+01
                61            62            63            64            65 
      1   0.105366D+01  0.403635D+01 -0.307825D+01 -0.429254D+01  0.503527D+01
      2   0.256265D+01  0.226298D+01  0.127440D+02 -0.150727D+02  0.149423D+02
      3  -0.570707D+01 -0.879488D+01 -0.400156D+01  0.796536D+00 -0.595935D+01
                66            67            68            69            70 
      1  -0.503857D+01  0.702004D+01  0.208019D+01 -0.708219D+01 -0.735354D+01
      2  -0.105690D+01  0.140486D+02  0.116971D+02  0.191519D-01 -0.128297D+02
      3  -0.105188D+02  0.418575D+01 -0.100032D+02 -0.173135D+02 -0.113383D+02
                71            72            73            74            75 
      1  -0.133091D+01  0.378639D+01 -0.147539D+01  0.488244D+01 -0.577534D+01
      2   0.309798D+01  0.588422D+01  0.656492D+01  0.220499D+01  0.131086D+02
      3  -0.161791D+02  0.320480D+01 -0.207550D+01 -0.123363D+02  0.424602D+00
                76            77            78            79            80 
      1   0.198227D+01  0.263526D+01  0.484917D+01 -0.450982D+01  0.949019D+01
      2   0.350923D+00  0.415285D+01 -0.546633D+01  0.552254D+01 -0.774808D+01
      3  -0.593803D+01 -0.138158D+02 -0.961932D+01  0.201606D+01 -0.850604D+01
                81            82            83            84            85 
      1  -0.518081D-01 -0.324430D+01 -0.120552D+02  0.839602D+01 -0.132632D+02
      2  -0.112936D+02  0.633056D+01  0.534009D+01 -0.334366D+01  0.791777D+01
      3   0.122885D+02  0.360462D+00 -0.893311D+01 -0.414648D+01  0.350210D+01
                86            87            88            89            90 
      1   0.621055D+00 -0.416338D+01  0.802275D+01  0.221717D+01  0.416200D+00
      2   0.620427D+01  0.227013D+01 -0.391055D+01  0.342640D+01 -0.297798D+01
      3   0.150266D+02  0.512222D+01 -0.994204D+00  0.104851D+02 -0.100244D+02
                91            92            93            94            95 
      1   0.204257D+01 -0.613132D+01  0.316054D+01  0.201504D+01 -0.690241D+01
      2   0.277260D+01 -0.106943D+01  0.182275D+02  0.128453D+00  0.890755D+01
      3   0.632847D+01 -0.102603D+02 -0.189396D+01 -0.109289D+01 -0.150700D+02
                96            97            98            99           100 
      1  -0.905149D+01 -0.500992D+00  0.228793D+01  0.383161D+01 -0.909944D+00
      2  -0.101886D+02  0.968061D+01 -0.803528D+01  0.198507D-01 -0.410467D+01
      3  -0.488638D+01 -0.138640D+01 -0.450741D+00  0.589739D+01  0.702616D+01
               101           102           103           104           105 
      1   0.192355D+01 -0.204285D+01  0.374601D+00  0.751903D-01 -0.146892D+01
      2  -0.364070D+00  0.532349D+01 -0.642396D+00 -0.595916D+00  0.109203D+01
      3  -0.637823D+01  0.110069D+01 -0.301400D+00 -0.104428D+00  0.483837D+00
               106           107           108           109           110 
      1  -0.909237D+00  0.529196D-03 -0.655839D+00 -0.756453D+00 -0.167986D+01
      2   0.940031D+00  0.131197D+01  0.228604D+01  0.415392D+01 -0.168897D+01
      3   0.290862D+00  0.404571D+00 -0.480574D+00 -0.222011D+01  0.242221D+01
               111           112           113           114           115 
      1   0.270650D+01 -0.714876D+00 -0.727142D+00 -0.211963D+01  0.647366D+00
      2  -0.651692D+01 -0.806557D+00  0.321454D+01  0.369854D+01 -0.583117D+01
      3   0.236913D+01  0.247149D+01 -0.155588D+01 -0.233038D+01  0.226974D+01
               116           117           118           119           120 
      1   0.207576D+01 -0.755043D+01  0.619935D+00  0.434059D+00  0.666524D-01
      2   0.549191D+01  0.207757D+02 -0.193858D+01 -0.503819D+00  0.621676D+00
      3  -0.431620D+01 -0.613491D+01  0.494832D+00 -0.118634D+01 -0.280134D+00
               121           122           123           124           125 
      1   0.989857D+00  0.202430D+01  0.576980D+00 -0.246633D+00  0.487873D+01
      2  -0.183188D+01 -0.627571D+00 -0.183838D+01 -0.434642D+01 -0.950954D+00
      3   0.179169D+01  0.503047D+00  0.885607D+00 -0.137491D+00  0.497379D+00
               126           127           128           129           130 
      1   0.306647D+01 -0.689201D+00  0.338170D+01  0.218398D+01  0.177597D+01
      2  -0.604272D+01 -0.129617D+01  0.412450D+00  0.457027D+00 -0.434327D+00
      3   0.139324D+01 -0.913220D+01  0.954127D+01  0.405347D+00  0.948292D+01
               131           132           133           134           135 
      1  -0.503631D+01 -0.494924D+01 -0.883977D-01 -0.221315D+01 -0.173400D+01
      2  -0.132599D+01  0.215002D+00 -0.666609D+00  0.132637D+01  0.567334D+00
      3  -0.177674D+02 -0.444300D+00  0.223994D+01 -0.420053D+01 -0.150863D+01
               136           137           138           139           140 
      1   0.327937D+01  0.147142D+01 -0.574866D+01  0.163698D+01  0.168947D+01
      2  -0.331964D+00 -0.152344D+01  0.470835D+01 -0.167315D+01 -0.198355D+01
      3   0.391870D+01 -0.202715D+01 -0.129772D+01  0.356142D+00 -0.285465D+01
               141           142           143           144           145 
      1  -0.268414D+01 -0.528111D+01 -0.742110D+00  0.932398D+01  0.180599D+01
      2   0.211633D+01 -0.245466D+00  0.259506D+01 -0.613952D+01 -0.296029D+01
      3   0.409049D+00 -0.414035D+01  0.143993D+01  0.135641D+01 -0.428460D+01
               146           147           148           149           150 
      1   0.812697D+00  0.323887D+01 -0.148162D+00 -0.135035D+01 -0.166244D+01
      2  -0.937085D+00  0.350634D+01  0.170007D+01  0.539337D+00 -0.274491D+00
      3  -0.276876D+01 -0.648982D+00  0.180267D+01  0.250778D+01  0.751204D-01
               151           152           153           154           155 
      1   0.131693D+01  0.747655D+00  0.414224D+01 -0.217753D+01 -0.475182D+01
      2  -0.251728D+01 -0.412724D+00  0.368528D+01  0.240118D+01  0.174694D+01
      3  -0.289319D+01 -0.287993D+00 -0.645477D+00  0.708753D+01  0.570303D+01
               156           157           158           159           160 
      1  -0.296797D+01 -0.326236D+01 -0.102873D+02 -0.540164D+01 -0.197853D+01
      2   0.711214D-01  0.141249D+01  0.278216D+01 -0.156594D-02 -0.955413D+00
      3   0.802158D+00  0.742183D+01  0.133640D+02  0.137318D+01  0.337215D+01
               161           162           163           164           165 
      1  -0.354523D+01 -0.380813D+01  0.648987D+01 -0.463524D+01 -0.437496D+01
      2   0.414327D+00 -0.153036D+00  0.125019D+02 -0.245364D+01 -0.533182D+01
      3   0.583663D+01  0.204928D+01  0.590642D+01 -0.104562D+01 -0.324552D+01
               166           167           168           169           170 
      1  -0.455811D+01  0.330283D+01  0.157241D+01 -0.471013D+01  0.376263D+01
      2  -0.594225D+01  0.243797D+01  0.328478D+01 -0.865100D+01  0.181946D+01
      3   0.952939D-01  0.838142D+00  0.112445D+01 -0.320916D+01  0.161556D+01
               171           172           173           174           175 
      1   0.674944D+01  0.505678D+00  0.409052D+00 -0.108913D+01  0.479382D-01
      2   0.833236D+01 -0.184862D+01 -0.469260D+01 -0.276558D+01 -0.272922D+01
      3   0.333013D+01  0.429774D+01  0.631437D+01  0.410330D+01  0.326592D+01
               176           177           178           179           180 
      1   0.226216D+01 -0.288382D+01  0.625051D+00  0.149770D+01 -0.257451D+01
      2  -0.982086D+01 -0.739199D+01 -0.113144D+01 -0.722643D+01 -0.796311D+01
      3   0.193228D+02  0.973765D+01  0.233504D+01  0.100885D+02  0.689103D+01
               181           182           183           184           185 
      1   0.456362D+01 -0.207872D+01  0.355316D+01 -0.248417D+01  0.129255D+01
      2   0.112703D+02 -0.506237D+01  0.931269D+01 -0.435036D+01  0.191611D+01
      3  -0.684280D+00 -0.556854D+01  0.849312D+00 -0.229305D+01  0.480067D+01
               186           187           188           189           190 
      1  -0.185120D+01  0.291937D+01 -0.262982D+00  0.274618D+01 -0.239399D+01
      2  -0.324006D+01  0.739952D+01 -0.313586D+01  0.741800D+01 -0.181475D+01
      3   0.415425D+00  0.150330D+01 -0.289101D+01  0.293008D+00 -0.401861D+01
               191           192           193           194           195 
      1  -0.237582D+01  0.259784D+01 -0.229706D+01 -0.611328D+01  0.362434D+01
      2  -0.240936D+01  0.505207D+01 -0.281337D+01 -0.528214D+01  0.750311D+01
      3  -0.391090D+01  0.455558D+01 -0.285424D+01 -0.906454D+01  0.717110D+01
               196           197           198           199           200 
      1   0.351747D+01  0.617826D+01 -0.586902D+01 -0.586955D-01 -0.324486D+00
      2   0.388049D+01  0.403663D+01 -0.126326D+02  0.457745D+00  0.293923D+00
      3   0.458280D+01  0.825072D+01 -0.684656D+01  0.516891D+00  0.547686D+00
               201           202           203           204           205 
      1   0.447455D+00 -0.418325D+01 -0.527281D+00 -0.229675D+01  0.149525D+01
      2  -0.218053D+00 -0.136859D+01 -0.145695D+01 -0.663266D+00 -0.292450D+01
      3   0.771269D+00  0.245570D+01 -0.617538D-01  0.109469D+00  0.190235D+01
               206           207           208           209           210 
      1   0.200403D+01 -0.336888D+01  0.891277D+00 -0.411155D+00  0.152537D-01
      2   0.185317D+00 -0.241720D+01  0.105567D+01 -0.462904D-01  0.624907D+00
      3   0.768977D+00 -0.103762D+00 -0.152628D+01 -0.714239D+00 -0.453129D+00
               211           212           213           214           215 
      1  -0.189409D+01  0.137473D+01 -0.187460D+00  0.678466D+00  0.417256D+01
      2  -0.922515D-01  0.291412D+01  0.458067D+01 -0.378009D+01  0.393636D+01
      3   0.344791D+01 -0.179537D+01 -0.277572D+01 -0.547281D+00 -0.333782D+01
               216           217           218           219           220 
      1  -0.165324D+00  0.996613D-02  0.243391D+01  0.328104D+00 -0.463326D+00
      2   0.123081D+02 -0.136174D+01 -0.239469D+01 -0.297961D+01 -0.630548D+00
      3  -0.457062D+01  0.236155D+01  0.414034D+01  0.124873D+01  0.209698D+01
               221           222           223           224           225 
      1   0.118766D+02  0.113178D+01  0.143045D+01  0.101764D+01  0.488647D+00
      2  -0.711560D+01 -0.504258D+01 -0.878388D+00 -0.215181D+01 -0.314755D+01
      3   0.247409D+02  0.570559D+01  0.155072D+01  0.156679D+01  0.232709D+01
               226           227           228           229           230 
      1  -0.869419D+00  0.264322D+01 -0.352332D+01  0.162023D+00 -0.305685D+01
      2  -0.683343D+01  0.358035D+01 -0.114887D+02  0.298733D+01 -0.740695D+01
      3  -0.245778D+01  0.263494D+01 -0.147547D+01  0.182317D+01 -0.308698D+01
               231           232           233           234           235 
      1   0.391513D+01 -0.209108D+01  0.419861D+01 -0.543087D+01 -0.124912D+01
      2   0.101688D+02 -0.710678D+01  0.599820D+01 -0.190851D+02  0.159918D+01
      3   0.545059D+01 -0.110577D+01  0.417948D+01 -0.443866D+01 -0.376868D+01
               236           237           238           239           240 
      1  -0.209841D+01  0.771216D+00 -0.641534D+00  0.101223D+00 -0.121463D+00
      2   0.322818D+00  0.623859D+01 -0.368432D+00 -0.102717D+01  0.190586D+01
      3  -0.622226D+01  0.107155D+01 -0.211539D+01  0.319118D+00  0.139874D+01
               241           242           243 
      1   0.599769D+00  0.137092D+01 -0.760602D+00
      2  -0.233261D+00  0.999636D+00 -0.199449D+01
      3   0.145939D+01  0.141738D+01 -0.145319D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.839118D+01  0.499837D+01 -0.642927D+01  0.610270D+00  0.609010D+01
      2   0.245698D+01 -0.191268D+02 -0.539422D+01 -0.134826D+02 -0.169232D+02
      3  -0.108482D+02  0.141284D+02  0.118235D+02  0.128723D+02  0.108331D+02
      4   0.112019D+02 -0.493109D+01  0.224672D+02 -0.196919D+01  0.545440D+01
      5  -0.180940D+02  0.183183D+02 -0.139382D+02  0.174717D+02  0.426226D+01
      6   0.131405D+02 -0.125049D+02  0.121066D+02 -0.828430D+01 -0.443479D+01
                 6             7             8             9            10 
      1   0.205524D+02 -0.595049D+01  0.211534D+02 -0.258755D+01 -0.283555D+01
      2  -0.135711D+02 -0.746957D+01 -0.167778D+02  0.737467D+01  0.745852D+01
      3  -0.698131D+01  0.134201D+02 -0.437563D+01 -0.478712D+01 -0.462296D+01
      4  -0.590227D+01  0.231455D+02 -0.796987D+01  0.400123D+01 -0.134500D+02
      5   0.624561D+01 -0.132230D+02  0.907444D+01 -0.749501D+01  0.126699D+02
      6   0.515829D+01  0.106587D+02  0.399181D+01  0.433842D+00 -0.126039D+02
                11            12            13            14            15 
      1  -0.175796D+01  0.813599D+01 -0.465007D+01 -0.103739D+02 -0.215350D+02
      2   0.463029D+01 -0.395119D+00  0.307028D+01  0.130211D+02  0.749520D+01
      3  -0.287234D+01 -0.774087D+01  0.157979D+01 -0.264720D+01  0.140398D+02
      4   0.174075D+00 -0.209196D+02  0.209163D+01 -0.263280D+02 -0.606567D+01
      5  -0.172618D+02 -0.337050D+01 -0.193189D+02 -0.159042D+02  0.167440D+01
      6   0.884756D+01 -0.400123D+01 -0.190312D+01 -0.179096D+01 -0.763845D+01
                16            17            18            19            20 
      1   0.790515D+01 -0.204633D+02 -0.290439D+01  0.419044D+02  0.105660D+02
      2   0.584490D+01  0.106182D+02 -0.293617D+01 -0.409211D+02 -0.150153D+02
      3  -0.137500D+02  0.984504D+01  0.584056D+01 -0.983242D+00  0.444930D+01
      4  -0.302719D+02 -0.105468D+01 -0.433933D-01  0.798615D+01 -0.105505D+02
      5  -0.588353D+01  0.124673D+01  0.244035D+01  0.168447D+02  0.533242D+01
      6  -0.466771D+01 -0.448334D+01  0.165337D+01  0.108678D+02 -0.384436D+00
                21            22            23            24            25 
      1   0.434860D+01  0.194579D+02  0.690512D+01  0.710106D+01 -0.204895D+00
      2  -0.359934D+01 -0.188299D+02 -0.126061D+02  0.266622D+01 -0.515661D+01
      3  -0.749261D+00 -0.628012D+00  0.570102D+01 -0.976727D+01  0.536151D+01
      4   0.589882D+01 -0.307982D+02 -0.552080D+01 -0.308216D+01  0.144037D+02
      5   0.449230D+01  0.552019D+01  0.570598D+01  0.425620D+01  0.398911D+01
      6   0.332585D+01  0.780159D+01  0.700268D+01  0.746342D+00  0.316906D+01
                26            27            28            29            30 
      1   0.948777D+01  0.145449D+02 -0.126265D+03 -0.129722D+02 -0.587385D+01
      2  -0.190565D+01  0.597371D+01  0.861050D+02  0.813476D+01  0.614550D+01
      3  -0.758212D+01 -0.205186D+02  0.401604D+02  0.483746D+01 -0.271652D+00
      4  -0.539324D+01  0.879774D+01 -0.143673D+02 -0.113437D+02  0.221647D+00
      5   0.525472D+01  0.605288D+01 -0.383090D+02 -0.213320D+01 -0.136422D+02
      6  -0.434248D+00 -0.222961D+01 -0.177930D+02 -0.620148D+01  0.727158D-01
                31            32            33            34            35 
      1  -0.367313D+02 -0.267143D+02  0.363636D+01 -0.321950D+02 -0.155279D+00
      2   0.270049D+02  0.235208D+02 -0.284631D+01  0.191740D+02 -0.198636D+01
      3   0.972643D+01  0.319355D+01 -0.790050D+00  0.130210D+02  0.214164D+01
      4  -0.103096D+02 -0.108947D+02  0.136861D+01 -0.693583D+01  0.149488D+01
      5  -0.952178D+01 -0.512918D+01 -0.457823D+00 -0.118099D+02  0.180781D+01
      6  -0.589681D+01 -0.900569D+01  0.473620D+01 -0.190897D+01  0.112004D+01
                36            37            38            39            40 
      1  -0.117847D+02  0.180353D+03  0.302748D+02  0.203203D+02  0.327765D+02
      2   0.177604D+01 -0.110991D+03 -0.183866D+02 -0.136119D+02 -0.169570D+02
      3   0.100087D+02 -0.693622D+02 -0.118882D+02 -0.670839D+01 -0.158195D+02
      4   0.891143D+00  0.337336D+02  0.183907D+02 -0.705117D-02  0.325437D+02
      5   0.108352D+01  0.589286D+02  0.438203D+01  0.132736D+02  0.422958D+01
      6  -0.501517D+01  0.200662D+02  0.586872D+01 -0.177443D+00  0.104970D+02
                41            42            43            44            45 
      1   0.594511D+01  0.924244D+01  0.100488D+02  0.903349D+01  0.129004D+02
      2   0.174052D+01  0.213823D+01 -0.123173D+02 -0.327326D+01 -0.213737D+01
      3  -0.768563D+01 -0.113807D+02  0.226855D+01 -0.576022D+01 -0.107630D+02
      4   0.779190D+01  0.325804D+01 -0.762722D+01 -0.265894D+01 -0.968924D+01
      5   0.338246D+01 -0.117111D+02  0.167132D+02 -0.853166D+01 -0.108881D+02
      6   0.139697D+01  0.412086D+01 -0.143173D+00  0.199978D+01 -0.956966D+01
                46            47            48            49            50 
      1  -0.169647D+03 -0.322809D+02 -0.380937D+02 -0.524486D+02 -0.177683D+02
      2   0.941790D+02  0.150226D+02  0.204836D+02  0.275739D+02  0.121919D+02
      3   0.754678D+02  0.172584D+02  0.176101D+02  0.248748D+02  0.557641D+01
      4  -0.541208D+02 -0.262054D+02 -0.111604D+02 -0.111940D+02 -0.100243D+02
      5  -0.744143D+02 -0.150738D+02 -0.270725D+02 -0.275808D+02 -0.329158D+01
      6  -0.197575D+02 -0.250229D+01 -0.573103D+01  0.102261D+00 -0.576074D+01
                51            52            53            54            55 
      1  -0.115026D+02 -0.438085D+02 -0.120920D+02 -0.175237D+02  0.185207D+03
      2   0.989547D+01  0.157099D+02  0.112971D+01  0.145306D+02 -0.976044D+02
      3   0.160711D+01  0.280986D+02  0.109623D+02  0.299315D+01 -0.876029D+02
      4  -0.163285D+01 -0.217130D+02  0.108471D+01  0.499412D+01  0.475475D+02
      5   0.449051D+01 -0.248314D+02  0.560757D+01  0.174215D+02  0.703276D+02
      6   0.206492D+01  0.310535D+01 -0.491029D+01 -0.495210D+01  0.110252D+02
                56            57            58            59            60 
      1   0.316328D+02  0.383437D+02  0.578231D+02  0.292997D+02  0.559408D+01
      2  -0.122359D+02 -0.247190D+02 -0.254715D+02 -0.705953D+01 -0.142603D+01
      3  -0.193968D+02 -0.136248D+02 -0.323516D+02 -0.222401D+02 -0.416805D+01
      4   0.335670D+02  0.104881D+02  0.544222D+02  0.347451D+02  0.172699D+02
      5   0.126337D+02  0.389617D+02  0.206168D+02  0.189417D+02  0.923727D+01
      6   0.621724D+01  0.494733D+01  0.107060D+02  0.888017D+01  0.977535D+01
                61            62            63            64            65 
      1   0.876543D+02  0.119934D+02  0.282936D+02 -0.281269D+02  0.152320D+02
      2  -0.534365D+02 -0.515085D+01 -0.256070D+02  0.862863D+01 -0.483522D+01
      3  -0.342178D+02 -0.684253D+01 -0.268664D+01  0.194982D+02 -0.103968D+02
      4   0.232607D+02  0.136469D+02  0.115739D+02  0.161873D+02 -0.514568D+00
      5   0.660043D+02  0.137080D+02  0.402724D+02 -0.200355D+02  0.246410D+02
      6   0.106410D+02  0.101868D+02  0.587701D+01  0.109607D+02 -0.111272D+02
                66            67            68            69            70 
      1  -0.155539D+02  0.893768D+01  0.105506D+02  0.338424D+02 -0.249794D+02
      2  -0.838762D+00  0.136635D+01 -0.676802D+01 -0.253188D+02  0.160973D+01
      3   0.163927D+02 -0.103040D+02 -0.378256D+01 -0.852355D+01  0.233697D+02
      4   0.294138D+02 -0.496889D+01  0.100309D+02  0.102880D+02  0.352490D+02
      5   0.413659D+00  0.253435D+02  0.152539D+02 -0.128891D+02 -0.304534D+01
      6  -0.495982D+01 -0.754539D+01 -0.119359D+02 -0.603564D+01 -0.336061D+01
                71            72            73            74            75 
      1   0.348988D+02 -0.498349D+01 -0.471759D+02 -0.177296D+02 -0.132070D+02
      2  -0.261639D+02  0.557129D+01  0.197430D+02  0.833831D+01 -0.253686D+01
      3  -0.873493D+01 -0.587793D+00  0.274330D+02  0.939126D+01  0.157439D+02
      4   0.752044D+01 -0.505235D+01 -0.234685D+02  0.371217D+00 -0.331161D+01
      5  -0.915068D+01  0.927420D+01 -0.161928D+02 -0.394320D+01  0.996668D+01
      6  -0.690971D+01  0.254494D+00 -0.304064D+01 -0.320210D+01  0.866242D+01
                76            77            78            79            80 
      1  -0.151941D+02  0.797989D+01 -0.361795D+01 -0.316810D+01 -0.170355D+01
      2   0.117214D+02 -0.107126D+01  0.115346D+02 -0.579407D+01  0.801512D+01
      3   0.347267D+01 -0.690863D+01 -0.791668D+01  0.896217D+01 -0.631157D+01
      4   0.888360D+01  0.291333D+02  0.111177D+02  0.126759D+00  0.356128D+01
      5  -0.624100D+01  0.181617D+02 -0.857728D+01  0.128704D+02 -0.864462D+01
      6   0.411783D+01  0.103738D+02 -0.136765D+01  0.675145D+01 -0.380191D+01
                81            82            83            84            85 
      1   0.228321D+02 -0.957040D+01 -0.122214D+02 -0.865989D+01 -0.140138D+02
      2  -0.544622D+01  0.153251D+02  0.292708D+02  0.108017D+02  0.262442D+02
      3  -0.173859D+02 -0.575472D+01 -0.170494D+02 -0.214181D+01 -0.122304D+02
      4  -0.422260D+01  0.641403D+01  0.967438D+01  0.905809D+01  0.205934D+02
      5  -0.710870D+01  0.402763D+00  0.897181D+01 -0.173561D+02  0.745777D+01
      6  -0.918448D+01  0.344469D+00  0.883710D+01 -0.156514D+02  0.210498D+01
                86            87            88            89            90 
      1   0.117254D+02  0.679460D+01 -0.255053D+02  0.797037D+01 -0.123863D+02
      2  -0.120159D+02 -0.588801D+01  0.255581D+02 -0.582248D+01  0.932814D+01
      3   0.290494D+00 -0.906586D+00 -0.527627D-01 -0.214789D+01  0.305817D+01
      4   0.123539D+02  0.581316D+01  0.157733D+02  0.117113D+02 -0.103883D+02
      5  -0.244325D+01  0.277785D+00 -0.249218D+02 -0.615190D+01  0.470270D+01
      6  -0.458980D+01 -0.144741D+01 -0.193405D+02 -0.325729D+01  0.562322D+01
                91            92            93            94            95 
      1  -0.577586D+02 -0.343953D+01  0.338990D+02 -0.117373D+02  0.236827D+02
      2   0.354757D+02 -0.385448D+01 -0.982242D+01  0.391421D+01 -0.186320D+02
      3   0.222829D+02  0.729401D+01 -0.240766D+02  0.782306D+01 -0.505072D+01
      4  -0.229975D+01  0.158685D+02  0.826276D+00  0.104772D+02  0.234348D+02
      5   0.307129D+02  0.261886D+01  0.104084D+02  0.686916D+01  0.342923D+01
      6   0.219064D+01 -0.735876D+01  0.136924D+01 -0.469603D+01 -0.106704D+02
                96            97            98            99           100 
      1  -0.247789D+01  0.181869D+02 -0.480770D+01  0.155072D+02  0.814657D+02
      2  -0.108146D+02 -0.267310D+01 -0.358582D+01 -0.922829D+01 -0.393318D+02
      3   0.132925D+02 -0.155138D+02  0.839352D+01 -0.627892D+01 -0.421339D+02
      4   0.611916D+01  0.336820D+01  0.147125D+01 -0.143090D+02  0.358127D+02
      5  -0.132580D+02  0.161776D+02 -0.124095D+02 -0.146424D+02  0.254121D+02
      6  -0.377092D+01 -0.128598D+01  0.218374D+01  0.116380D+02  0.779022D+01
               101           102           103           104           105 
      1   0.153902D+02  0.134799D+02  0.697387D+01  0.713164D+01  0.122388D+01
      2  -0.395186D+01 -0.825225D+01 -0.242209D+00  0.491629D+00 -0.125784D+01
      3  -0.114384D+02 -0.522763D+01 -0.673166D+01 -0.762327D+01  0.339636D-01
      4   0.206063D+02  0.780237D+01  0.159944D+02  0.755335D+01  0.271398D+01
      5   0.654704D+01  0.148600D+02  0.347154D+01  0.208493D+01  0.239868D+01
      6   0.462661D+01  0.438688D+01  0.320045D+01  0.568266D+00  0.295394D+01
               106           107           108           109           110 
      1   0.319481D+01  0.943840D+00  0.469645D+01  0.756423D+00  0.577721D+01
      2  -0.273118D+01 -0.231983D+01 -0.444877D+01 -0.228107D+01 -0.334439D+01
      3  -0.463628D+00  0.137599D+01 -0.247675D+00  0.152465D+01 -0.243282D+01
      4   0.244687D+01  0.152090D+00  0.515763D+01  0.210646D+01 -0.187800D+01
      5   0.112467D+02  0.427701D+01  0.642869D+01  0.272564D+01 -0.107717D+00
      6   0.311869D+01  0.272174D+01  0.330638D+01  0.351069D+01 -0.339495D+01
               111           112           113           114           115 
      1   0.104619D+02  0.264856D+01 -0.722086D+01 -0.456817D+01  0.770236D+01
      2   0.220876D+00 -0.189618D+01  0.328082D+01  0.173573D+01 -0.349131D+01
      3  -0.106827D+02 -0.752384D+00  0.394004D+01  0.283244D+01 -0.421105D+01
      4   0.990835D+00  0.192046D+01  0.173218D+01  0.360635D+01  0.363319D+01
      5  -0.417177D+01  0.164019D+01  0.242842D+01  0.549742D+01  0.484787D+01
      6  -0.625016D+01 -0.827735D+00  0.577692D+01  0.105635D+02  0.491706D+00
               116           117           118           119           120 
      1  -0.752356D+01 -0.236094D+02  0.599655D+00 -0.149712D+00 -0.203318D+01
      2   0.140000D+01 -0.874947D+01 -0.403701D+01 -0.988900D-01 -0.172202D+00
      3   0.612356D+01  0.323589D+02  0.343735D+01  0.248602D+00  0.220538D+01
      4   0.815590D+01  0.788456D+01 -0.116335D+01  0.280974D+01  0.450193D+00
      5   0.916381D+01  0.287813D+02 -0.488368D+00  0.138872D+01  0.664844D+01
      6   0.116189D+02  0.219485D+02  0.133599D+01  0.231318D+00 -0.373663D-01
               121           122           123           124           125 
      1   0.996868D+00 -0.664435D+01 -0.540933D+01 -0.109075D+01 -0.272278D+01
      2  -0.634891D+00  0.217180D+01 -0.228903D+01  0.127795D+01 -0.259231D+01
      3  -0.361976D+00  0.447255D+01  0.769837D+01 -0.187195D+00  0.531510D+01
      4   0.218446D+01 -0.249140D+01 -0.219906D+01 -0.811080D-02 -0.286950D+01
      5   0.200894D+01 -0.240253D+01 -0.334941D+01  0.553772D+01 -0.247894D+01
      6  -0.149889D+00  0.220583D+01  0.682222D+01 -0.621984D+00  0.589473D+01
               126           127           128           129           130 
      1  -0.239326D+02 -0.743391D+01  0.194784D+02  0.751016D+00  0.108903D+02
      2  -0.125376D+02  0.987082D+01 -0.278275D+02 -0.151924D+01 -0.140463D+02
      3   0.364702D+02 -0.243690D+01  0.834914D+01  0.768227D+00  0.315606D+01
      4  -0.420783D+01 -0.493665D+01  0.225000D+01 -0.629225D+00  0.616040D+01
      5  -0.120527D+02  0.573980D+00 -0.849093D+00  0.164041D+01 -0.911837D+00
      6   0.228936D+01  0.234905D+00  0.206448D+00 -0.221246D+01  0.268911D+00
               131           132           133           134           135 
      1  -0.350982D+02 -0.393900D+00  0.409317D+01 -0.646766D+01 -0.398825D+01
      2   0.543558D+02  0.155885D+01 -0.377001D+01  0.994283D+01  0.482136D+01
      3  -0.192576D+02 -0.116495D+01 -0.323155D+00 -0.347517D+01 -0.833103D+00
      4   0.829232D+01 -0.455580D+00  0.381003D+00  0.146200D+01  0.208004D+01
      5   0.231998D+00  0.225300D+01  0.360989D+01  0.248961D+01  0.414339D-01
      6  -0.878855D+00  0.744846D+01  0.755591D+00  0.818775D+01  0.164368D+01
               136           137           138           139           140 
      1   0.112211D+02  0.101209D+01 -0.216413D+01  0.313015D+01 -0.528527D+01
      2  -0.482144D+01  0.197715D+01  0.660415D+00 -0.750350D+00  0.917142D+01
      3  -0.639969D+01 -0.298924D+01  0.150372D+01 -0.237980D+01 -0.388615D+01
      4   0.168072D+02  0.138863D+02 -0.113641D+02  0.100259D+02  0.109586D+02
      5  -0.168238D+02 -0.981369D+01  0.176780D+02 -0.555414D+01 -0.860179D+01
      6  -0.102796D+02 -0.905277D+01  0.122247D+02 -0.644906D+01 -0.988218D+01
               141           142           143           144           145 
      1   0.256349D+01  0.225301D+00  0.625863D+01 -0.586775D+01  0.148725D+02
      2  -0.399846D+01 -0.112220D+01 -0.723195D+01 -0.239565D+01 -0.102823D+02
      3   0.143497D+01  0.896899D+00  0.973315D+00  0.826339D+01 -0.459017D+01
      4  -0.891582D+01 -0.169581D+02 -0.154401D+02  0.153167D+02 -0.244378D+02
      5   0.764476D+01  0.207767D+02  0.140295D+02 -0.248125D+02  0.265702D+02
      6   0.965028D+01  0.154229D+02  0.166015D+02 -0.225389D+02 -0.133273D+02
               146           147           148           149           150 
      1  -0.105375D+01  0.197867D+01 -0.878734D+00 -0.323431D+01  0.166350D+01
      2  -0.124771D+01 -0.625571D+01 -0.568932D+00  0.697067D+01 -0.107574D+01
      3   0.230146D+01  0.427705D+01  0.144767D+01 -0.373636D+01 -0.587752D+00
      4   0.188665D+02 -0.165420D+02  0.131764D+02 -0.134975D+02  0.991889D+01
      5  -0.141608D+02  0.238494D+02 -0.892765D+01  0.878795D+01 -0.839591D+01
      6   0.129179D+02 -0.144376D+02  0.872016D+01 -0.103863D+02  0.100302D+02
               151           152           153           154           155 
      1   0.375835D+01  0.192271D+01 -0.320040D+01 -0.608880D+01 -0.109902D+02
      2  -0.598537D+01  0.608118D-02 -0.756535D+01  0.759190D+01  0.168681D+02
      3   0.222702D+01 -0.192879D+01  0.107657D+02 -0.150311D+01 -0.587784D+01
      4  -0.138820D+02  0.104674D+02 -0.131759D+02  0.203932D+01  0.275176D+01
      5   0.197695D+02 -0.113683D+02  0.219966D+02 -0.111590D+01 -0.438505D+01
      6  -0.110466D+02  0.113983D+02 -0.158283D+02 -0.137822D+01 -0.182248D+01
               156           157           158           159           160 
      1   0.927155D+00 -0.663396D+01 -0.246764D+02 -0.126036D+01 -0.228370D+01
      2   0.237014D+01  0.102294D+02  0.410006D+02  0.557267D+01  0.377421D+01
      3  -0.329729D+01 -0.359539D+01 -0.163242D+02 -0.431232D+01 -0.149051D+01
      4  -0.117392D+01  0.486294D+01 -0.900382D+01  0.777579D+00  0.228354D+00
      5   0.767474D+00 -0.455165D+01 -0.487356D+01 -0.386305D+01  0.601890D+00
      6   0.199051D+01 -0.344598D+00 -0.604671D+01  0.617258D+01  0.291560D+00
               161           162           163           164           165 
      1  -0.947864D+01 -0.328363D+01 -0.631285D+01 -0.262195D+01  0.111818D+02
      2   0.152871D+02  0.436851D+01 -0.509374D+01  0.614290D+01  0.437333D+01
      3  -0.580850D+01 -0.108487D+01  0.114066D+02 -0.352095D+01 -0.155551D+02
      4  -0.369892D+01 -0.935065D+00  0.687740D+01 -0.143973D+01 -0.542953D+01
      5  -0.339040D+01 -0.205847D+01 -0.429473D+01 -0.696333D+00  0.285126D+01
      6   0.353639D+01  0.387332D+01 -0.181150D+01 -0.260617D+01  0.421174D+01
               166           167           168           169           170 
      1   0.150327D+01 -0.258186D+01 -0.696625D+01  0.886524D+01 -0.228174D+01
      2   0.394308D+01 -0.546257D-02 -0.194901D+01  0.407791D+01 -0.190995D+01
      3  -0.544635D+01  0.258733D+01  0.891526D+01 -0.129432D+02  0.419168D+01
      4  -0.291259D+01  0.291584D+01  0.163242D+01 -0.677630D+01  0.226315D+01
      5   0.224234D+00 -0.943701D+00  0.213367D+01  0.540142D+01 -0.135691D+01
      6  -0.224596D+01  0.325248D+01  0.731869D+00  0.178674D+01  0.376611D+01
               171           172           173           174           175 
      1  -0.147505D+02 -0.278120D+01 -0.123235D+02 -0.545896D+01 -0.944215D+01
      2  -0.888148D+01  0.291841D+01  0.101846D+02  0.295596D+01  0.389107D+01
      3   0.236320D+02 -0.137209D+00  0.213893D+01  0.250300D+01  0.555109D+01
      4   0.453394D+01 -0.812179D+00 -0.431219D+01 -0.453881D+01  0.780187D+01
      5   0.180471D+01  0.205832D+01 -0.379863D+01 -0.288418D+01  0.224172D+01
      6  -0.592539D+01  0.150274D+01  0.683640D+01  0.542674D+01 -0.472670D+00
               176           177           178           179           180 
      1  -0.222393D+02 -0.135387D+02 -0.282430D+01 -0.142720D+02 -0.100867D+02
      2   0.261482D+02  0.961437D+01  0.220940D+01  0.102428D+02  0.326509D+01
      3  -0.390891D+01  0.392433D+01  0.614900D+00  0.402929D+01  0.682165D+01
      4  -0.286095D+02 -0.134893D+02  0.288724D+00 -0.134879D+02 -0.927301D+01
      5  -0.136178D+02 -0.107236D+02  0.464276D+01 -0.929794D+01 -0.129771D+02
      6   0.204187D+02  0.150726D+02 -0.185581D-01  0.146482D+02  0.129410D+02
               181           182           183           184           185 
      1   0.692211D+02 -0.183664D+02  0.134126D+02 -0.166398D+02  0.849511D+01
      2  -0.279069D+02  0.314658D+01 -0.362851D+01  0.187140D+01  0.141766D+01
      3  -0.413141D+02  0.152198D+02 -0.978405D+01  0.147684D+02 -0.991277D+01
      4  -0.365672D+02  0.205842D+02 -0.854502D+01  0.218098D+02 -0.166936D+02
      5   0.816186D+01 -0.408370D+01  0.127008D+02 -0.378038D+01  0.124081D+01
      6  -0.340734D+01  0.141610D+01 -0.381467D+01  0.138034D+01  0.156387D+00
               186           187           188           189           190 
      1  -0.548465D+01  0.314058D+02 -0.100272D+02  0.110123D+02  0.183328D+02
      2   0.149743D+01 -0.110044D+02  0.206179D+01 -0.517811D+01 -0.129121D+02
      3   0.398722D+01 -0.204013D+02  0.796538D+01 -0.583422D+01 -0.542074D+01
      4   0.381211D+01 -0.205447D+02  0.119278D+02 -0.711403D+01  0.222480D+01
      5  -0.308912D+01  0.130571D+02 -0.424448D+01  0.115976D+02 -0.135563D+02
      6   0.380386D+01 -0.443385D+01  0.359311D+01 -0.478143D+01 -0.131436D+01
               191           192           193           194           195 
      1   0.441445D+01 -0.869801D+01  0.139739D+02  0.316703D+01 -0.908298D+01
      2  -0.472088D+01  0.100986D+02 -0.112586D+02 -0.482075D+01  0.126269D+02
      3   0.306435D+00 -0.140061D+01 -0.271523D+01  0.165372D+01 -0.354390D+01
      4   0.597914D+01 -0.579868D+01  0.580495D+01  0.133123D+02 -0.926696D+01
      5  -0.813596D+01  0.151729D+02 -0.151457D+02 -0.111889D+02  0.182806D+02
      6  -0.268846D+00  0.156371D+00 -0.232596D+00 -0.361059D+01  0.289214D+01
               196           197           198           199           200 
      1  -0.115343D+02 -0.638315D+01  0.761963D+01  0.502209D+00 -0.167637D+01
      2   0.135984D+02  0.984616D+01 -0.185049D+02  0.107418D+01  0.150887D+01
      3  -0.206411D+01 -0.346301D+01  0.108853D+02 -0.157639D+01  0.167500D+00
      4  -0.543669D+01 -0.105523D+02  0.717939D+01 -0.113132D+01  0.133673D+01
      5   0.213267D+02  0.106626D+02 -0.314943D+02 -0.378400D+01  0.950545D+00
      6  -0.468469D+00  0.495122D+01  0.570928D+00  0.583819D+00  0.125444D+00
               201           202           203           204           205 
      1  -0.240850D+01 -0.199740D+01 -0.535429D+00 -0.459350D+01 -0.356758D+01
      2   0.192697D+01 -0.160305D+01  0.775144D+00  0.229966D+01  0.286825D+01
      3   0.481524D+00  0.360045D+01 -0.239714D+00  0.229384D+01  0.699329D+00
      4   0.180216D+01  0.103507D+01 -0.880713D+00 -0.220283D+01  0.222319D+01
      5   0.399823D+01  0.448775D+00 -0.677854D+00 -0.202643D+01  0.370475D+01
      6  -0.252030D+00 -0.724997D+00  0.335872D+01  0.306444D+01 -0.167117D-01
               206           207           208           209           210 
      1  -0.514012D+01 -0.784072D+01 -0.216619D+00  0.110380D+01  0.283042D+01
      2   0.402066D+01  0.139482D+01 -0.192978D+01 -0.572078D+00 -0.690299D+00
      3   0.111946D+01  0.644590D+01  0.214640D+01 -0.531722D+00 -0.214012D+01
      4  -0.210995D+01 -0.403105D+01  0.150640D+01  0.194887D+01  0.189633D+01
      5  -0.328989D+01 -0.702284D+01  0.280744D+01  0.220594D+01  0.617622D+01
      6   0.439889D+01  0.661714D+01  0.206640D+01 -0.714597D-01  0.592333D+00
               211           212           213           214           215 
      1   0.221814D+01 -0.619827D+01 -0.824750D+01  0.333604D+01 -0.790900D+01
      2  -0.337264D+01  0.149553D+01 -0.625319D+00 -0.265538D+01  0.103667D+01
      3   0.115450D+01  0.470274D+01  0.887282D+01 -0.680664D+00  0.687233D+01
      4  -0.558579D+00  0.324223D+01  0.391088D+01  0.242551D+01  0.434899D+01
      5   0.328585D+01  0.479689D+01  0.894769D+01  0.469076D+01  0.686958D+01
      6  -0.776610D+00  0.514105D+01  0.648921D+01  0.153136D+01  0.810613D+01
               216           217           218           219           220 
      1  -0.240552D+02  0.267139D+01 -0.797638D+01 -0.577543D+01 -0.105183D+02
      2  -0.634551D+01  0.165682D+00  0.646314D+01  0.153985D+01  0.542086D+01
      3   0.304007D+02 -0.283707D+01  0.151323D+01  0.423558D+01  0.509742D+01
      4   0.573857D+01 -0.256908D+01 -0.353655D+01 -0.135822D+01  0.612963D+01
      5   0.222650D+02 -0.855699D+00  0.193948D+00 -0.395425D+01  0.741582D+01
      6   0.967674D+01  0.174638D+01  0.384841D+01  0.177491D+01 -0.137745D+01
               221           222           223           224           225 
      1  -0.207207D+02 -0.400260D+01 -0.442474D+01 -0.282295D+01 -0.661245D+01
      2   0.276267D+02  0.251930D+01  0.210380D+01  0.227131D+00  0.220522D+01
      3  -0.690602D+01  0.148329D+01  0.232094D+01  0.259582D+01  0.440723D+01
      4  -0.430088D+02 -0.105545D+02 -0.113803D+01 -0.298614D+01 -0.343487D+01
      5  -0.808562D+01 -0.114495D+02  0.868215D+00 -0.327906D+01 -0.347853D+01
      6   0.197513D+02  0.997120D+01  0.125349D+00  0.663373D+01  0.235259D+01
               226           227           228           229           230 
      1  -0.553462D+01  0.646023D+01 -0.158220D+02  0.799340D+01 -0.114163D+02
      2  -0.533485D+00 -0.110960D+01 -0.486940D+00 -0.370375D+01  0.426751D+01
      3   0.606810D+01 -0.535063D+01  0.163089D+02 -0.428966D+01  0.714875D+01
      4   0.392277D+01 -0.570246D+01  0.154188D+01 -0.161071D+01  0.461657D+01
      5  -0.211018D+00 -0.694915D-02 -0.948483D+01 -0.290169D+01 -0.632205D+01
      6  -0.272219D+01  0.452537D+01 -0.275510D+01  0.201516D+01 -0.546147D+01
               231           232           233           234           235 
      1   0.916084D+01 -0.164508D+02  0.749542D+01 -0.223197D+02  0.832135D+02
      2   0.336398D+01  0.556236D+01  0.142474D+01 -0.725186D+01 -0.468292D+02
      3  -0.125248D+02  0.108884D+02 -0.892017D+01  0.295716D+02 -0.363842D+02
      4  -0.803944D+01  0.354260D+01 -0.862342D+01  0.723224D+01 -0.763222D+01
      5   0.126964D+02  0.210680D+01  0.578639D+01 -0.223081D+02 -0.444516D+02
      6   0.871671D+01 -0.184814D+01  0.690289D+01 -0.628673D+01  0.687483D-01
               236           237           238           239           240 
      1  -0.898706D+00 -0.224680D+02  0.601076D+01  0.586897D+01 -0.151539D+01
      2  -0.301633D+00  0.166332D+02 -0.355125D+01 -0.201258D+01  0.218522D+01
      3   0.120034D+01  0.583482D+01 -0.245951D+01 -0.385640D+01 -0.669828D+00
      4   0.121485D+02  0.215322D+01  0.101273D+02 -0.120331D+01 -0.423144D+01
      5   0.498243D+00  0.254328D+02 -0.381020D+01 -0.522622D+01  0.375621D+01
      6  -0.400672D+01 -0.967981D+00 -0.341853D+01  0.403879D+00  0.269268D+01
               241           242           243 
      1  -0.121009D+02  0.271031D+00  0.869932D+01
      2   0.105257D+02  0.639348D+00 -0.900746D+01
      3   0.157529D+01 -0.910378D+00  0.308142D+00
      4   0.795258D+00 -0.242333D+01  0.495380D+00
      5   0.174951D+02  0.102787D+01 -0.122552D+02
      6  -0.127684D+01  0.215470D+01 -0.155209D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.146430D+01      0.372188D+01      0.124149D+02
   y          0.466288D+00      0.118519D+01      0.395335D+01
   z          0.648282D+00      0.164777D+01      0.549637D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.160415D+03      0.237711D+02      0.264489D+02
   yx         0.622842D+01      0.922956D+00      0.102693D+01
   yy         0.104663D+03      0.155094D+02      0.172565D+02
   zx         0.405451D+01      0.600816D+00      0.668498D+00
   zy         0.409679D+01      0.607081D+00      0.675469D+00
   zz         0.107452D+03      0.159228D+02      0.177165D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.131980D+03      0.195575D+02      0.217606D+02
   aniso      0.622144D+02      0.921922D+01      0.102578D+02
   xx         0.171724D+03      0.254468D+02      0.283134D+02
   yx         0.741135D+01      0.109825D+01      0.122197D+01
   yy         0.110800D+03      0.164188D+02      0.182684D+02
   zx         0.556886D+01      0.825220D+00      0.918181D+00
   zy         0.423266D+01      0.627216D+00      0.697872D+00
   zz         0.113418D+03      0.168068D+02      0.187000D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.27836191         -3.61710130          2.61046671
     6          1.50951590         -1.44398806          3.17764798
     6          1.77072531          0.70961947          1.11459093
     6         -0.32890338          0.86031149         -0.73141950
     6         -0.06501574          0.70888235         -3.23649688
     6         -2.14640079          0.84296564         -5.08775533
     8         -1.69388729          0.66987955         -7.33592982
     6          4.11513983         -2.44159599          3.89381125
     6          0.56016011          0.58879065          5.07141817
     6          1.55925238          2.67737994          3.29639630
     6         -4.83217440          1.18934480         -4.15633898
     1          1.34309249          0.50964838          6.97579973
     1         -1.49629311          0.60526589          5.21509600
     1          3.57383253          0.67817144          0.11660387
     1          0.31849597          4.28234775          2.94631595
     1          3.40403005          3.39551635          3.85696480
     1         -0.42718505         -4.86371366          4.25049697
     1          0.39998526         -4.74254338          1.01799543
     1         -2.17620762         -2.95726272          2.15202005
     1          4.91709408         -3.56395206          2.35761727
     1          3.99411432         -3.64399252          5.56831993
     1          5.42972759         -0.90739559          4.31140581
     1         -2.20827758          1.11578711          0.05396006
     1          1.78910303          0.46224388         -4.07681973
     1         -5.01717245          2.93836448         -3.07718033
     1         -5.38487775         -0.36572568         -2.91735034
     1         -6.09195916          1.25054972         -5.77772562

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.166789D+01      0.423937D+01      0.141410D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.166789D+01      0.423937D+01      0.141410D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124177D+03      0.184011D+02      0.204740D+02
   aniso      0.563618D+02      0.835196D+01      0.929281D+01
   xx         0.114975D+03      0.170376D+02      0.189569D+02
   yx        -0.395703D+01     -0.586371D+00     -0.652426D+00
   yy         0.102783D+03      0.152309D+02      0.169467D+02
   zx         0.169253D+02      0.250808D+01      0.279061D+01
   zy        -0.419275D+01     -0.621302D+00     -0.691292D+00
   zz         0.154771D+03      0.229347D+02      0.255183D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.131980D+03      0.195575D+02      0.217606D+02
   aniso      0.622144D+02      0.921922D+01      0.102578D+02
   xx         0.120677D+03      0.178825D+02      0.198969D+02
   yx        -0.393144D+01     -0.582579D+00     -0.648206D+00
   yy         0.108752D+03      0.161154D+02      0.179308D+02
   zx         0.180197D+02      0.267024D+01      0.297104D+01
   zy        -0.449135D+01     -0.665550D+00     -0.740524D+00
   zz         0.166512D+03      0.246745D+02      0.274541D+02

 ----------------------------------------------------------------------
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 THESE ARE THE TIMES THAT TRY MENS SOULS.
 THE SUMMER SOLDIER AND THE SUNSHINE PATRIOT WILL IN THIS CRISIS,
 SHRINK FROM THE SERVICE OF HIS COUNTRY.  BUT HE THAT STANDS NOW,
 DESERVES THE LOVE AND THANKS OF MAN AND WOMAN.
 TYRANNY, LIKE HELL, IS NOT EASILY CONQUERED,
 YET WE HAVE THIS CONSOLATION WITH US,
 THAT THE HARDER THE CONFLICT, THE MORE GLORIOUS THE TRIUMPH.
 WHAT WE OBTAIN TOO CHEAP, WE ESTEEM TOO LIGHTLY, 
 'TIS DEARNESS ONLY THAT GIVES EVERYTHING ITS VALUE.

                                              -- TOM PAINE
 Job cpu time:       0 days  8 hours  5 minutes  1.6 seconds.
 Elapsed time:       0 days  1 hours  0 minutes 47.3 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:13:05 2021.
